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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H17N3O3/c1-2-3-12-23-19(24)17-7-5-4-6-16(17)18(22-23)20(25)26-15-10-8-14(13-21)9-11-15/h4-11H,2-3,12H2,1H3