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

Systemtic Name: 6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-2-(cyclopropylmethyl)-N-(2-dimethylaminoethyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-2-(cyclopropylmethyl)-N-(2-dimethylaminoethyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: 6-[5-[(cyclopropylamino)-oxomethyl]-2-methylphenyl]-2-(cyclopropylmethyl)-N-(2-dimethylaminoethyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-(cyclopropylmethyl)-N-(2-dimethylaminoethyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: 6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-2-(cyclopropylmethyl)-N-(2-dimethylaminoethyl)-1-keto-isoquinoline-4-carboxamide Formula: C29H34N4O3 MolecularWeight: 486.60526

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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)NCCN(C)C)CC5CC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=O)N(C=C4C(=O)NCCN(C)C)CC5CC5

InChI

InChI=1S/C29H34N4O3/c1-18-4-7-21(27(34)31-22-9-10-22)15-24(18)20-8-11-23-25(14-20)26(28(35)30-12-13-32(2)3)17-33(29(23)36)16-19-5-6-19/h4,7-8,11,14-15,17,19,22H,5-6,9-10,12-13,16H2,1-3H3,(H,30,35)(H,31,34)