6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-N-(1-methylpiperidin-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide

Systemtic Name: 6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-N-(1-methylpiperidin-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide Openeye Name: 2-benzyl-6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-N-(1-methyl-4-piperidyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: 6-[5-[(cyclopropylamino)-oxomethyl]-2-methylphenyl]-N-(1-methyl-4-piperidinyl)-1-oxo-2-(phenylmethyl)-4-isoquinolinecarboxamide IUPAC Name: 2-benzyl-6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(1-methylpiperidin-4-yl)-1-oxoisoquinoline-4-carboxamide Traditional Name: 2-benzyl-6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-1-keto-N-(1-methyl-4-piperidyl)isoquinoline-4-carboxamide Formula: C34H36N4O3 MolecularWeight: 548.67464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=O)N(C=C4C(=O)NC5CCN(CC5)C)CC6=CC=CC=C6

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=O)N(C=C4C(=O)NC5CCN(CC5)C)CC6=CC=CC=C6

InChI

InChI=1S/C34H36N4O3/c1-22-8-9-25(32(39)35-26-11-12-26)19-29(22)24-10-13-28-30(18-24)31(33(40)36-27-14-16-37(2)17-15-27)21-38(34(28)41)20-23-6-4-3-5-7-23/h3-10,13,18-19,21,26-27H,11-12,14-17,20H2,1-2H3,(H,35,39)(H,36,40)