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

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-2H-isoquinolin-1-one Openeye Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-2H-isoquinolin-1-one IUPAC Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one Traditional Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]isocarbostyril Formula: C20H18ClN3O2 MolecularWeight: 367.82882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C20H18ClN3O2/c21-15-5-3-6-16(13-15)23-8-10-24(11-9-23)20(26)18-12-14-4-1-2-7-17(14)19(25)22-18/h1-7,12-13H,8-11H2,(H,22,25)