3-[ethyl(phenyl)amino]-4-(4-methylphenyl)carbonyl-2H-isoquinolin-1-one

Systemtic Name: 3-[ethyl(phenyl)amino]-4-(4-methylphenyl)carbonyl-2H-isoquinolin-1-one Openeye Name: 3-(N-ethylanilino)-4-(4-methylbenzoyl)-2H-isoquinolin-1-one CAS Name: 3-(N-ethylanilino)-4-[(4-methylphenyl)-oxomethyl]-2H-isoquinolin-1-one IUPAC Name: 3-(N-ethylanilino)-4-(4-methylbenzoyl)-2H-isoquinolin-1-one Traditional Name: 3-(N-ethylanilino)-4-p-toluoyl-isocarbostyril Formula: C25H22N2O2 MolecularWeight: 382.45438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C2=C(C3=CC=CC=C3C(=O)N2)C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=C(C3=CC=CC=C3C(=O)N2)C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H22N2O2/c1-3-27(19-9-5-4-6-10-19)24-22(23(28)18-15-13-17(2)14-16-18)20-11-7-8-12-21(20)25(29)26-24/h4-16H,3H2,1-2H3,(H,26,29)