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

Systemtic Name: 4-(4-methylphenyl)carbonyl-3-phenylazanyl-2H-isoquinolin-1-one Openeye Name: 3-anilino-4-(4-methylbenzoyl)-2H-isoquinolin-1-one CAS Name: 3-anilino-4-[(4-methylphenyl)-oxomethyl]-2H-isoquinolin-1-one IUPAC Name: 3-anilino-4-(4-methylbenzoyl)-2H-isoquinolin-1-one Traditional Name: 3-anilino-4-p-toluoyl-isocarbostyril Formula: C23H18N2O2 MolecularWeight: 354.40122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(NC(=O)C3=CC=CC=C32)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(NC(=O)C3=CC=CC=C32)NC4=CC=CC=C4

InChI

InChI=1S/C23H18N2O2/c1-15-11-13-16(14-12-15)21(26)20-18-9-5-6-10-19(18)23(27)25-22(20)24-17-7-3-2-4-8-17/h2-14H,1H3,(H2,24,25,27)