2-[2-(azepan-1-yl)ethyl]-3-methyl-N-(4-methylcyclohexyl)-1-oxidanylidene-4H-isoquinoline-3-carboxamide

Systemtic Name: 2-[2-(azepan-1-yl)ethyl]-3-methyl-N-(4-methylcyclohexyl)-1-oxidanylidene-4H-isoquinoline-3-carboxamide Openeye Name: 2-[2-(azepan-1-yl)ethyl]-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-isoquinoline-3-carboxamide CAS Name: 2-[2-(1-azepanyl)ethyl]-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-isoquinoline-3-carboxamide IUPAC Name: 2-[2-(azepan-1-yl)ethyl]-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-isoquinoline-3-carboxamide Traditional Name: 2-[2-(azepan-1-yl)ethyl]-1-keto-3-methyl-N-(4-methylcyclohexyl)-4H-isoquinoline-3-carboxamide Formula: C26H39N3O2 MolecularWeight: 425.60676

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)C2(CC3=CC=CC=C3C(=O)N2CCN4CCCCCC4)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)C2(CC3=CC=CC=C3C(=O)N2CCN4CCCCCC4)C

InChI

InChI=1S/C26H39N3O2/c1-20-11-13-22(14-12-20)27-25(31)26(2)19-21-9-5-6-10-23(21)24(30)29(26)18-17-28-15-7-3-4-8-16-28/h5-6,9-10,20,22H,3-4,7-8,11-19H2,1-2H3,(H,27,31)