2-(4-chlorophenyl)-N-(2,3-dimethylcyclohexyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-N-(2,3-dimethylcyclohexyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-(2,3-dimethylcyclohexyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-(2,3-dimethylcyclohexyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-(2,3-dimethylcyclohexyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-(2,3-dimethylcyclohexyl)-1-keto-isoquinoline-4-carboxamide Formula: C24H25ClN2O2 MolecularWeight: 408.9205

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H25ClN2O2/c1-15-6-5-9-22(16(15)2)26-23(28)21-14-27(18-12-10-17(25)11-13-18)24(29)20-8-4-3-7-19(20)21/h3-4,7-8,10-16,22H,5-6,9H2,1-2H3,(H,26,28)