(4-bromophenyl) 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-bromophenyl) 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-bromophenyl) 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid (4-bromophenyl) ester Formula: C19H17BrN2O3 MolecularWeight: 401.25388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H17BrN2O3/c1-12(2)11-22-18(23)16-6-4-3-5-15(16)17(21-22)19(24)25-14-9-7-13(20)8-10-14/h3-10,12H,11H2,1-2H3