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

Systemtic Name: 2-[2-(4-chlorophenyl)ethyl]-3-methyl-N-(4-methylcyclohexyl)-1-oxidanylidene-4H-isoquinoline-3-carboxamide Openeye Name: 2-[2-(4-chlorophenyl)ethyl]-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-isoquinoline-3-carboxamide CAS Name: 2-[2-(4-chlorophenyl)ethyl]-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-isoquinoline-3-carboxamide IUPAC Name: 2-[2-(4-chlorophenyl)ethyl]-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-isoquinoline-3-carboxamide Traditional Name: 2-[2-(4-chlorophenyl)ethyl]-1-keto-3-methyl-N-(4-methylcyclohexyl)-4H-isoquinoline-3-carboxamide Formula: C26H31ClN2O2 MolecularWeight: 438.98954

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)C2(CC3=CC=CC=C3C(=O)N2CCC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)C2(CC3=CC=CC=C3C(=O)N2CCC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C26H31ClN2O2/c1-18-7-13-22(14-8-18)28-25(31)26(2)17-20-5-3-4-6-23(20)24(30)29(26)16-15-19-9-11-21(27)12-10-19/h3-6,9-12,18,22H,7-8,13-17H2,1-2H3,(H,28,31)