2-butyl-3-(3-chlorophenyl)-4-(4-ethanoylpiperazin-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-butyl-3-(3-chlorophenyl)-4-(4-ethanoylpiperazin-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-acetylpiperazine-1-carbonyl)-2-butyl-3-(3-chlorophenyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[(4-acetyl-1-piperazinyl)-oxomethyl]-2-butyl-3-(3-chlorophenyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-acetylpiperazine-1-carbonyl)-2-butyl-3-(3-chlorophenyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-acetylpiperazine-1-carbonyl)-2-butyl-3-(3-chlorophenyl)-3,4-dihydroisocarbostyril Formula: C26H30ClN3O3 MolecularWeight: 467.9877

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C(=O)C)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C(=O)C)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H30ClN3O3/c1-3-4-12-30-24(19-8-7-9-20(27)17-19)23(21-10-5-6-11-22(21)25(30)32)26(33)29-15-13-28(14-16-29)18(2)31/h5-11,17,23-24H,3-4,12-16H2,1-2H3