(6-bromanylnaphthalen-2-yl) 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: (6-bromanylnaphthalen-2-yl) 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (6-bromo-2-naphthyl) 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid (6-bromo-2-naphthalenyl) ester IUPAC Name: (6-bromonaphthalen-2-yl) 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (6-bromo-2-naphthyl) ester Formula: C26H17BrN2O3 MolecularWeight: 485.32878

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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=CC5=C(C=C4)C=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC4=CC5=C(C=C4)C=C(C=C5)Br

InChI

InChI=1S/C26H17BrN2O3/c27-20-12-10-19-15-21(13-11-18(19)14-20)32-26(31)24-22-8-4-5-9-23(22)25(30)29(28-24)16-17-6-2-1-3-7-17/h1-15H,16H2