2-butyl-3-(3-chlorophenyl)-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-butyl-3-(3-chlorophenyl)-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-benzylpiperazine-1-carbonyl)-2-butyl-3-(3-chlorophenyl)-3,4-dihydroisoquinolin-1-one CAS Name: 2-butyl-3-(3-chlorophenyl)-4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-benzylpiperazine-1-carbonyl)-2-butyl-3-(3-chlorophenyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-benzylpiperazine-1-carbonyl)-2-butyl-3-(3-chlorophenyl)-3,4-dihydroisocarbostyril Formula: C31H34ClN3O2 MolecularWeight: 516.07356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C31H34ClN3O2/c1-2-3-16-35-29(24-12-9-13-25(32)21-24)28(26-14-7-8-15-27(26)30(35)36)31(37)34-19-17-33(18-20-34)22-23-10-5-4-6-11-23/h4-15,21,28-29H,2-3,16-20,22H2,1H3