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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCCN(CC3)C)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCCN(CC3)C)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H32ClN3O2/c1-3-4-15-30-24(19-9-7-10-20(27)18-19)23(21-11-5-6-12-22(21)25(30)31)26(32)29-14-8-13-28(2)16-17-29/h5-7,9-12,18,23-24H,3-4,8,13-17H2,1-2H3