(4-bromanyl-2-chloranyl-6-methyl-phenyl) 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (4-bromo-2-chloro-6-methyl-phenyl) 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid (4-bromo-2-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (4-bromo-2-chloro-6-methyl-phenyl) ester Formula: C23H16BrClN2O3 MolecularWeight: 483.74174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)Cl)Br

InChI

InChI=1S/C23H16BrClN2O3/c1-14-11-16(24)12-19(25)21(14)30-23(29)20-17-9-5-6-10-18(17)22(28)27(26-20)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3