(4-bromophenyl) 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H17BrN2O3/c1-2-3-12-22-18(23)16-7-5-4-6-15(16)17(21-22)19(24)25-14-10-8-13(20)9-11-14/h4-11H,2-3,12H2,1H3