3-cyano-N-[(3S)-2-oxidanylideneazepan-3-yl]-1-phenyl-pyrrole-2-carboxamide

Systemtic Name: 3-cyano-N-[(3S)-2-oxidanylideneazepan-3-yl]-1-phenyl-pyrrole-2-carboxamide Openeye Name: 3-cyano-N-[(3S)-2-oxoazepan-3-yl]-1-phenyl-pyrrole-2-carboxamide CAS Name: 3-cyano-N-[(3S)-2-oxo-3-azepanyl]-1-phenyl-2-pyrrolecarboxamide IUPAC Name: 3-cyano-N-[(3S)-2-oxoazepan-3-yl]-1-phenylpyrrole-2-carboxamide Traditional Name: 3-cyano-N-[(3S)-2-ketoazepan-3-yl]-1-phenyl-pyrrole-2-carboxamide Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=C(C=CN2C3=CC=CC=C3)C#N

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=C(C=CN2C3=CC=CC=C3)C#N

InChI

InChI=1S/C18H18N4O2/c19-12-13-9-11-22(14-6-2-1-3-7-14)16(13)18(24)21-15-8-4-5-10-20-17(15)23/h1-3,6-7,9,11,15H,4-5,8,10H2,(H,20,23)(H,21,24)/t15-/m0/s1