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

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (4-bromo-2-chloro-phenyl) 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (4-bromo-2-chloro-phenyl) ester Formula: C22H14BrClN2O3 MolecularWeight: 469.71516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C22H14BrClN2O3/c23-15-10-11-19(18(24)12-15)29-22(28)20-16-8-4-5-9-17(16)21(27)26(25-20)13-14-6-2-1-3-7-14/h1-12H,13H2