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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-cyano-N-[1-(phenylmethyl)piperidin-4-yl]pyrrole-2-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-1-(3-chloro-2-methyl-phenyl)-3-cyano-pyrrole-2-carboxamide CAS Name: 1-(3-chloro-2-methylphenyl)-3-cyano-N-[1-(phenylmethyl)-4-piperidinyl]-2-pyrrolecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-1-(3-chloro-2-methylphenyl)-3-cyanopyrrole-2-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-1-(3-chloro-2-methyl-phenyl)-3-cyano-pyrrole-2-carboxamide Formula: C25H25ClN4O MolecularWeight: 432.9452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C=CC(=C2C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C=CC(=C2C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C25H25ClN4O/c1-18-22(26)8-5-9-23(18)30-15-10-20(16-27)24(30)25(31)28-21-11-13-29(14-12-21)17-19-6-3-2-4-7-19/h2-10,15,21H,11-14,17H2,1H3,(H,28,31)