[5,7-bis(chloranyl)-2-methyl-quinolin-8-yl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: [5,7-bis(chloranyl)-2-methyl-quinolin-8-yl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (5,7-dichloro-2-methyl-8-quinolyl) 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid (5,7-dichloro-2-methyl-8-quinolinyl) ester IUPAC Name: (5,7-dichloro-2-methylquinolin-8-yl) 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (5,7-dichloro-2-methyl-8-quinolyl) ester Formula: C26H17Cl2N3O3 MolecularWeight: 490.33748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC(=C2OC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)Cl)Cl

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC(=C2OC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)Cl)Cl

InChI

InChI=1S/C26H17Cl2N3O3/c1-15-11-12-19-20(27)13-21(28)24(22(19)29-15)34-26(33)23-17-9-5-6-10-18(17)25(32)31(30-23)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3