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

Systemtic Name: 6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-2-(cyclopropylmethyl)-N-(1-methylpiperidin-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-2-(cyclopropylmethyl)-N-(1-methyl-4-piperidyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: 6-[5-[(cyclopropylamino)-oxomethyl]-2-methylphenyl]-2-(cyclopropylmethyl)-N-(1-methyl-4-piperidinyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-(cyclopropylmethyl)-N-(1-methylpiperidin-4-yl)-1-oxoisoquinoline-4-carboxamide Traditional Name: 6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-2-(cyclopropylmethyl)-1-keto-N-(1-methyl-4-piperidyl)isoquinoline-4-carboxamide Formula: C31H36N4O3 MolecularWeight: 512.64254

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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)CC6CC6

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)CC6CC6

InChI

InChI=1S/C31H36N4O3/c1-19-3-6-22(29(36)32-23-8-9-23)16-26(19)21-7-10-25-27(15-21)28(18-35(31(25)38)17-20-4-5-20)30(37)33-24-11-13-34(2)14-12-24/h3,6-7,10,15-16,18,20,23-24H,4-5,8-9,11-14,17H2,1-2H3,(H,32,36)(H,33,37)