(4-bromophenyl)methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=C(C=C3)Br

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=C(C=C3)Br

InChI

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