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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C=CC(=C2C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)N2C=CC(=C2C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C#N

InChI

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