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

Systemtic Name: 2-butyl-3-(3-chlorophenyl)-4-(4-cyclopentylpiperazin-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 2-butyl-3-(3-chlorophenyl)-4-(4-cyclopentylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one CAS Name: 2-butyl-3-(3-chlorophenyl)-4-[(4-cyclopentyl-1-piperazinyl)-oxomethyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-butyl-3-(3-chlorophenyl)-4-(4-cyclopentylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 2-butyl-3-(3-chlorophenyl)-4-(4-cyclopentylpiperazine-1-carbonyl)-3,4-dihydroisocarbostyril Formula: C29H36ClN3O2 MolecularWeight: 494.06804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4CCCC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4CCCC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C29H36ClN3O2/c1-2-3-15-33-27(21-9-8-10-22(30)20-21)26(24-13-6-7-14-25(24)28(33)34)29(35)32-18-16-31(17-19-32)23-11-4-5-12-23/h6-10,13-14,20,23,26-27H,2-5,11-12,15-19H2,1H3