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

Systemtic Name: 2-butyl-3-(3-chlorophenyl)-4-(4-ethylpiperazin-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 2-butyl-3-(3-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one CAS Name: 2-butyl-3-(3-chlorophenyl)-4-[(4-ethyl-1-piperazinyl)-oxomethyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-butyl-3-(3-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 2-butyl-3-(3-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)-3,4-dihydroisocarbostyril Formula: C26H32ClN3O2 MolecularWeight: 454.00418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32ClN3O2/c1-3-5-13-30-24(19-9-8-10-20(27)18-19)23(21-11-6-7-12-22(21)25(30)31)26(32)29-16-14-28(4-2)15-17-29/h6-12,18,23-24H,3-5,13-17H2,1-2H3