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

Systemtic Name: 3-[(4-chlorophenyl)amino]-4-pyridin-4-ylcarbonyl-2H-isoquinolin-1-one Openeye Name: 3-(4-chloroanilino)-4-(pyridine-4-carbonyl)-2H-isoquinolin-1-one CAS Name: 3-(4-chloroanilino)-4-[oxo(pyridin-4-yl)methyl]-2H-isoquinolin-1-one IUPAC Name: 3-(4-chloroanilino)-4-(pyridine-4-carbonyl)-2H-isoquinolin-1-one Traditional Name: 3-(4-chloroanilino)-4-isonicotinoyl-isocarbostyril Formula: C21H14ClN3O2 MolecularWeight: 375.80776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(NC2=O)NC3=CC=C(C=C3)Cl)C(=O)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(NC2=O)NC3=CC=C(C=C3)Cl)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C21H14ClN3O2/c22-14-5-7-15(8-6-14)24-20-18(19(26)13-9-11-23-12-10-13)16-3-1-2-4-17(16)21(27)25-20/h1-12H,(H2,24,25,27)