2-butyl-3-(3-chlorophenyl)-N-(2-methylpropyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 2-butyl-3-(3-chlorophenyl)-N-(2-methylpropyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 2-butyl-3-(3-chlorophenyl)-N-isobutyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-butyl-3-(3-chlorophenyl)-N-(2-methylpropyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 2-butyl-3-(3-chlorophenyl)-N-(2-methylpropyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 2-butyl-3-(3-chlorophenyl)-N-isobutyl-1-keto-3,4-dihydroisoquinoline-4-carboxamide Formula: C24H29ClN2O2 MolecularWeight: 412.95226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC(C)C)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC(C)C)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C24H29ClN2O2/c1-4-5-13-27-22(17-9-8-10-18(25)14-17)21(23(28)26-15-16(2)3)19-11-6-7-12-20(19)24(27)29/h6-12,14,16,21-22H,4-5,13,15H2,1-3H3,(H,26,28)