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

Systemtic Name: 4-(3-methylphenyl)carbonyl-3-morpholin-4-yl-2H-isoquinolin-1-one Openeye Name: 4-(3-methylbenzoyl)-3-morpholino-2H-isoquinolin-1-one CAS Name: 4-[(3-methylphenyl)-oxomethyl]-3-(4-morpholinyl)-2H-isoquinolin-1-one IUPAC Name: 4-(3-methylbenzoyl)-3-morpholin-4-yl-2H-isoquinolin-1-one Traditional Name: 3-morpholino-4-m-toluoyl-isocarbostyril Formula: C21H20N2O3 MolecularWeight: 348.3951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2=C(NC(=O)C3=CC=CC=C32)N4CCOCC4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2=C(NC(=O)C3=CC=CC=C32)N4CCOCC4

InChI

InChI=1S/C21H20N2O3/c1-14-5-4-6-15(13-14)19(24)18-16-7-2-3-8-17(16)21(25)22-20(18)23-9-11-26-12-10-23/h2-8,13H,9-12H2,1H3,(H,22,25)