4-(3-chlorophenyl)-N-[2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-4-yl]piperazine-1-carboxamide

Systemtic Name: 4-(3-chlorophenyl)-N-[2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-4-yl]piperazine-1-carboxamide Openeye Name: 4-(3-chlorophenyl)-N-(2-isobutyl-1-oxo-4-isoquinolyl)piperazine-1-carboxamide CAS Name: 4-(3-chlorophenyl)-N-[2-(2-methylpropyl)-1-oxo-4-isoquinolinyl]-1-piperazinecarboxamide IUPAC Name: 4-(3-chlorophenyl)-N-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]piperazine-1-carboxamide Traditional Name: 4-(3-chlorophenyl)-N-(2-isobutyl-1-keto-4-isoquinolyl)piperazine-1-carboxamide Formula: C24H27ClN4O2 MolecularWeight: 438.94978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=CC=CC=C2C1=O)NC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)CN1C=C(C2=CC=CC=C2C1=O)NC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H27ClN4O2/c1-17(2)15-29-16-22(20-8-3-4-9-21(20)23(29)30)26-24(31)28-12-10-27(11-13-28)19-7-5-6-18(25)14-19/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,26,31)