4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-2-(3,4-dimethylphenyl)isoquinolin-1-one

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-2-(3,4-dimethylphenyl)isoquinolin-1-one Openeye Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(3,4-dimethylphenyl)isoquinolin-1-one CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-2-(3,4-dimethylphenyl)-1-isoquinolinone IUPAC Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(3,4-dimethylphenyl)isoquinolin-1-one Traditional Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(3,4-dimethylphenyl)isocarbostyril Formula: C28H26ClN3O2 MolecularWeight: 471.97794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl)C

InChI

InChI=1S/C28H26ClN3O2/c1-19-10-11-23(16-20(19)2)32-18-26(24-8-3-4-9-25(24)28(32)34)27(33)31-14-12-30(13-15-31)22-7-5-6-21(29)17-22/h3-11,16-18H,12-15H2,1-2H3