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

Systemtic Name: 3-[4-(3-methylphenyl)piperazin-1-yl]carbonyl-2H-isoquinolin-1-one Openeye Name: 3-[4-(m-tolyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one CAS Name: 3-[[4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]-2H-isoquinolin-1-one IUPAC Name: 3-[4-(3-methylphenyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one Traditional Name: 3-[4-(m-tolyl)piperazine-1-carbonyl]isocarbostyril Formula: C21H21N3O2 MolecularWeight: 347.41034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H21N3O2/c1-15-5-4-7-17(13-15)23-9-11-24(12-10-23)21(26)19-14-16-6-2-3-8-18(16)20(25)22-19/h2-8,13-14H,9-12H2,1H3,(H,22,25)