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PDBeChem : Molecule Descriptors
Molecule : 1OZ
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1 |
2 |
InChIKey
|
InChI |
1.03 |
NFHRQQKPEBFUJK-HSZRJFAPSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
CN1C(=O)[CH](NC(=O)c2[nH]c3ccccc3c2)N=C(c4ccccc4)c5ccccc15 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CN1c2ccccc2C(=NC(C1=O)NC(=O)c3cc4ccccc4[nH]3)c5ccccc5 |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
CN1C(=O)[C@@H](NC(=O)c2[nH]c3ccccc3c2)N=C(c4ccccc4)c5ccccc15 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
CN1c2ccccc2C(=N[C@@H](C1=O)NC(=O)c3cc4ccccc4[nH]3)c5ccccc5 |
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