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

Systemtic Name: 6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-2-(cyclopropylmethyl)-1-oxidanylidene-N-piperidin-4-yl-isoquinoline-4-carboxamide Openeye Name: 6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-2-(cyclopropylmethyl)-1-oxo-N-(4-piperidyl)isoquinoline-4-carboxamide CAS Name: 6-[5-[(cyclopropylamino)-oxomethyl]-2-methylphenyl]-2-(cyclopropylmethyl)-1-oxo-N-(4-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: 6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-(cyclopropylmethyl)-1-oxo-N-piperidin-4-ylisoquinoline-4-carboxamide Traditional Name: 6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-2-(cyclopropylmethyl)-1-keto-N-(4-piperidyl)isoquinoline-4-carboxamide Formula: C30H34N4O3 MolecularWeight: 498.61596

Click to see the large picture

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)CC6CC6

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=O)N(C=C4C(=O)NC5CCNCC5)CC6CC6

InChI

InChI=1S/C30H34N4O3/c1-18-2-5-21(28(35)32-22-7-8-22)15-25(18)20-6-9-24-26(14-20)27(17-34(30(24)37)16-19-3-4-19)29(36)33-23-10-12-31-13-11-23/h2,5-6,9,14-15,17,19,22-23,31H,3-4,7-8,10-13,16H2,1H3,(H,32,35)(H,33,36)