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

Systemtic Name: 6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-1-oxidanylidene-2-(phenylmethyl)-N-(2-piperidin-1-ylethyl)isoquinoline-4-carboxamide Openeye Name: 2-benzyl-6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-1-oxo-N-[2-(1-piperidyl)ethyl]isoquinoline-4-carboxamide CAS Name: 6-[5-[(cyclopropylamino)-oxomethyl]-2-methylphenyl]-1-oxo-2-(phenylmethyl)-N-[2-(1-piperidinyl)ethyl]-4-isoquinolinecarboxamide IUPAC Name: 2-benzyl-6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-oxo-N-(2-piperidin-1-ylethyl)isoquinoline-4-carboxamide Traditional Name: 2-benzyl-6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-1-keto-N-(2-piperidinoethyl)isoquinoline-4-carboxamide Formula: C35H38N4O3 MolecularWeight: 562.70122

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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)NCCN5CCCCC5)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)NCCN5CCCCC5)CC6=CC=CC=C6

InChI

InChI=1S/C35H38N4O3/c1-24-10-11-27(33(40)37-28-13-14-28)21-30(24)26-12-15-29-31(20-26)32(34(41)36-16-19-38-17-6-3-7-18-38)23-39(35(29)42)22-25-8-4-2-5-9-25/h2,4-5,8-12,15,20-21,23,28H,3,6-7,13-14,16-19,22H2,1H3,(H,36,41)(H,37,40)