3-cyano-1-(2-methylphenyl)-N-[1-(phenylmethyl)piperidin-4-yl]pyrrole-2-carboxamide

Systemtic Name: 3-cyano-1-(2-methylphenyl)-N-[1-(phenylmethyl)piperidin-4-yl]pyrrole-2-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-3-cyano-1-(o-tolyl)pyrrole-2-carboxamide CAS Name: 3-cyano-1-(2-methylphenyl)-N-[1-(phenylmethyl)-4-piperidinyl]-2-pyrrolecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-3-cyano-1-(2-methylphenyl)pyrrole-2-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-3-cyano-1-(o-tolyl)pyrrole-2-carboxamide Formula: C25H26N4O MolecularWeight: 398.50014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=CC(=C2C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=CC=C1N2C=CC(=C2C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C25H26N4O/c1-19-7-5-6-10-23(19)29-16-11-21(17-26)24(29)25(30)27-22-12-14-28(15-13-22)18-20-8-3-2-4-9-20/h2-11,16,22H,12-15,18H2,1H3,(H,27,30)