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DZ0 : Summary
Code ![](/pdbe/static/images/help.png)
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DZ0
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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(2~{E})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C23 H25 N O2
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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347.45 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
COc1ccc2c(CC(=CC3CCN(CC3)Cc4ccccc4)C2=O)c1 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
COc1ccc2c(c1)CC(=CC3CCN(CC3)Cc4ccccc4)C2=O |
Canonical SMILES
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CACTVS |
3.385 |
COc1ccc2c(CC(=C/C3CCN(CC3)Cc4ccccc4)\C2=O)c1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
COc1ccc2c(c1)C/C(=C\C3CCN(CC3)Cc4ccccc4)/C2=O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C23H25NO2/c1-26-21-7-8-22-19(15-21)14-20(23(22)25)13-17-9-11-24(12-10-17)16-18-5-3-2-4-6-18/h2-8,13,15,17H,9-12,14,16H2,1H3/b20-13+ |
IUPAC InChI key ![](/pdbe/static/images/help.png) | CNIWTTNRVIMZIP-DEDYPNTBSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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51 (26 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2017-02-28
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Last modified at ![](/pdbe/static/images/help.png)
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2018-04-27
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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