Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : VVN    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C21H21N3O3/c1-3-21(25)23(2)11-12-26-19-7-4-5-8-20(19)27-18-9-6-10-24-15-16(14-22)13-17(18)24/h4-10,13,15H,3,11-12H2,1-2H3
2 InChIKey InChI 1.06 ONGVXJRZAFCJEX-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 CCC(=O)N(C)CCOc1ccccc1Oc1cccn2cc(cc12)C#N
4 SMILES CACTVS 3.385 CCC(=O)N(C)CCOc1ccccc1Oc2cccn3cc(cc23)C#N
5 SMILES OpenEye OEToolkits 2.0.7 CCC(=O)N(C)CCOc1ccccc1Oc2cccn3c2cc(c3)C#N
6 Canonical SMILES CACTVS 3.385 CCC(=O)N(C)CCOc1ccccc1Oc2cccn3cc(cc23)C#N
7 Canonical SMILES OpenEye OEToolkits 2.0.7 CCC(=O)N(C)CCOc1ccccc1Oc2cccn3c2cc(c3)C#N