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

Systemtic Name: 6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-1-oxidanylidene-2-(phenylmethyl)-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide Openeye Name: 2-benzyl-6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide CAS Name: 6-[5-[(cyclopropylamino)-oxomethyl]-2-methylphenyl]-1-oxo-2-(phenylmethyl)-N-[2-(1-pyrrolidinyl)ethyl]-4-isoquinolinecarboxamide IUPAC Name: 2-benzyl-6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide Traditional Name: 2-benzyl-6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-1-keto-N-(2-pyrrolidinoethyl)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)NCCN5CCCC5)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)NCCN5CCCC5)CC6=CC=CC=C6

InChI

InChI=1S/C34H36N4O3/c1-23-9-10-26(32(39)36-27-12-13-27)20-29(23)25-11-14-28-30(19-25)31(33(40)35-15-18-37-16-5-6-17-37)22-38(34(28)41)21-24-7-3-2-4-8-24/h2-4,7-11,14,19-20,22,27H,5-6,12-13,15-18,21H2,1H3,(H,35,40)(H,36,39)