3-(4-phenylpiperazin-1-yl)carbonyl-2H-isoquinolin-1-one

Systemtic Name: 3-(4-phenylpiperazin-1-yl)carbonyl-2H-isoquinolin-1-one Openeye Name: 3-(4-phenylpiperazine-1-carbonyl)-2H-isoquinolin-1-one CAS Name: 3-[oxo-(4-phenyl-1-piperazinyl)methyl]-2H-isoquinolin-1-one IUPAC Name: 3-(4-phenylpiperazine-1-carbonyl)-2H-isoquinolin-1-one Traditional Name: 3-(4-phenylpiperazine-1-carbonyl)isocarbostyril Formula: C20H19N3O2 MolecularWeight: 333.38376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O2/c24-19-17-9-5-4-6-15(17)14-18(21-19)20(25)23-12-10-22(11-13-23)16-7-2-1-3-8-16/h1-9,14H,10-13H2,(H,21,24)