(4-cyanophenyl) 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-cyanophenyl) 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-cyanophenyl) 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid (4-cyanophenyl) ester Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H17N3O3/c1-13(2)12-23-19(24)17-6-4-3-5-16(17)18(22-23)20(25)26-15-9-7-14(11-21)8-10-15/h3-10,13H,12H2,1-2H3