(3-cyanophenyl) 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: (3-cyanophenyl) 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: (3-cyanophenyl) 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid (3-cyanophenyl) ester Formula: C22H13N3O3 MolecularWeight: 367.35692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H13N3O3/c23-14-15-7-6-10-17(13-15)28-22(27)20-18-11-4-5-12-19(18)21(26)25(24-20)16-8-2-1-3-9-16/h1-13H