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

Systemtic Name: 2-butyl-3-(3-chlorophenyl)-4-[4-(2-methoxyethyl)piperazin-1-yl]carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 2-butyl-3-(3-chlorophenyl)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-butyl-3-(3-chlorophenyl)-4-[[4-(2-methoxyethyl)-1-piperazinyl]-oxomethyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-butyl-3-(3-chlorophenyl)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-butyl-3-(3-chlorophenyl)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-3,4-dihydroisocarbostyril Formula: C27H34ClN3O3 MolecularWeight: 484.03016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34ClN3O3/c1-3-4-12-31-25(20-8-7-9-21(28)19-20)24(22-10-5-6-11-23(22)26(31)32)27(33)30-15-13-29(14-16-30)17-18-34-2/h5-11,19,24-25H,3-4,12-18H2,1-2H3