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

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-bromo-2-chloro-phenyl) 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid (4-bromo-2-chloro-phenyl) ester Formula: C19H16BrClN2O3 MolecularWeight: 435.69894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrClN2O3/c1-2-3-10-23-18(24)14-7-5-4-6-13(14)17(22-23)19(25)26-16-9-8-12(20)11-15(16)21/h4-9,11H,2-3,10H2,1H3