6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-1-oxidanylidene-N-piperidin-4-yl-2-(pyridin-4-ylmethyl)isoquinoline-4-carboxamide

Systemtic Name: 6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-1-oxidanylidene-N-piperidin-4-yl-2-(pyridin-4-ylmethyl)isoquinoline-4-carboxamide Openeye Name: 6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-1-oxo-N-(4-piperidyl)-2-(4-pyridylmethyl)isoquinoline-4-carboxamide CAS Name: 6-[5-[(cyclopropylamino)-oxomethyl]-2-methylphenyl]-1-oxo-N-(4-piperidinyl)-2-(pyridin-4-ylmethyl)-4-isoquinolinecarboxamide IUPAC Name: 6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-oxo-N-piperidin-4-yl-2-(pyridin-4-ylmethyl)isoquinoline-4-carboxamide Traditional Name: 6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-1-keto-N-(4-piperidyl)-2-(4-pyridylmethyl)isoquinoline-4-carboxamide Formula: C32H33N5O3 MolecularWeight: 535.63612

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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)NC5CCNCC5)CC6=CC=NC=C6

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=O)N(C=C4C(=O)NC5CCNCC5)CC6=CC=NC=C6

InChI

InChI=1S/C32H33N5O3/c1-20-2-3-23(30(38)35-24-5-6-24)17-27(20)22-4-7-26-28(16-22)29(31(39)36-25-10-14-34-15-11-25)19-37(32(26)40)18-21-8-12-33-13-9-21/h2-4,7-9,12-13,16-17,19,24-25,34H,5-6,10-11,14-15,18H2,1H3,(H,35,38)(H,36,39)