3-[(4-methylphenyl)amino]-4-pyridin-4-ylcarbonyl-2H-isoquinolin-1-one

Systemtic Name: 3-[(4-methylphenyl)amino]-4-pyridin-4-ylcarbonyl-2H-isoquinolin-1-one Openeye Name: 3-(4-methylanilino)-4-(pyridine-4-carbonyl)-2H-isoquinolin-1-one CAS Name: 3-(4-methylanilino)-4-[oxo(pyridin-4-yl)methyl]-2H-isoquinolin-1-one IUPAC Name: 3-(4-methylanilino)-4-(pyridine-4-carbonyl)-2H-isoquinolin-1-one Traditional Name: 4-isonicotinoyl-3-(p-toluidino)isocarbostyril Formula: C22H17N3O2 MolecularWeight: 355.38928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C3=CC=CC=C3C(=O)N2)C(=O)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C3=CC=CC=C3C(=O)N2)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C22H17N3O2/c1-14-6-8-16(9-7-14)24-21-19(20(26)15-10-12-23-13-11-15)17-4-2-3-5-18(17)22(27)25-21/h2-13H,1H3,(H2,24,25,27)