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

Systemtic Name: 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]carbonyl-2H-isoquinolin-1-one Openeye Name: 3-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-2H-isoquinolin-1-one CAS Name: 3-[[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-oxomethyl]-2H-isoquinolin-1-one IUPAC Name: 3-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-2H-isoquinolin-1-one Traditional Name: 3-[4-(4-chlorobenzyl)piperazine-1-carbonyl]isocarbostyril Formula: C21H20ClN3O2 MolecularWeight: 381.8554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H20ClN3O2/c22-17-7-5-15(6-8-17)14-24-9-11-25(12-10-24)21(27)19-13-16-3-1-2-4-18(16)20(26)23-19/h1-8,13H,9-12,14H2,(H,23,26)