3-cyano-1-(4-dimethylaminophenyl)-N-(2-oxidanylideneazepan-3-yl)pyrrole-2-carboxamide

Systemtic Name: 3-cyano-1-(4-dimethylaminophenyl)-N-(2-oxidanylideneazepan-3-yl)pyrrole-2-carboxamide Openeye Name: 3-cyano-1-(4-dimethylaminophenyl)-N-(2-oxoazepan-3-yl)pyrrole-2-carboxamide CAS Name: 3-cyano-1-(4-dimethylaminophenyl)-N-(2-oxo-3-azepanyl)-2-pyrrolecarboxamide IUPAC Name: 3-cyano-1-(4-dimethylaminophenyl)-N-(2-oxoazepan-3-yl)pyrrole-2-carboxamide Traditional Name: 3-cyano-1-(4-dimethylaminophenyl)-N-(2-ketoazepan-3-yl)pyrrole-2-carboxamide Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)N2C=CC(=C2C(=O)NC3CCCCNC3=O)C#N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)N2C=CC(=C2C(=O)NC3CCCCNC3=O)C#N

InChI

InChI=1S/C20H23N5O2/c1-24(2)15-6-8-16(9-7-15)25-12-10-14(13-21)18(25)20(27)23-17-5-3-4-11-22-19(17)26/h6-10,12,17H,3-5,11H2,1-2H3,(H,22,26)(H,23,27)