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

Systemtic Name: 3-cyano-1-(2,4-dimethylphenyl)-N-[1-(phenylmethyl)piperidin-4-yl]pyrrole-2-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-3-cyano-1-(2,4-dimethylphenyl)pyrrole-2-carboxamide CAS Name: 3-cyano-1-(2,4-dimethylphenyl)-N-[1-(phenylmethyl)-4-piperidinyl]-2-pyrrolecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-3-cyano-1-(2,4-dimethylphenyl)pyrrole-2-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-3-cyano-1-(2,4-dimethylphenyl)pyrrole-2-carboxamide Formula: C26H28N4O MolecularWeight: 412.52672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CC(=C2C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CC(=C2C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C#N)C

InChI

InChI=1S/C26H28N4O/c1-19-8-9-24(20(2)16-19)30-15-10-22(17-27)25(30)26(31)28-23-11-13-29(14-12-23)18-21-6-4-3-5-7-21/h3-10,15-16,23H,11-14,18H2,1-2H3,(H,28,31)