(2-chloranyl-5-methyl-phenyl) 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: (2-chloranyl-5-methyl-phenyl) 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (2-chloro-5-methyl-phenyl) 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (2-chloro-5-methyl-phenyl) ester Formula: C23H17ClN2O3 MolecularWeight: 404.84568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C23H17ClN2O3/c1-15-11-12-19(24)20(13-15)29-23(28)21-17-9-5-6-10-18(17)22(27)26(25-21)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3