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

Systemtic Name: (4-cyanophenyl) 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: (4-cyanophenyl) 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid (4-cyanophenyl) ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19N3O3/c1-2-3-6-13-24-20(25)18-8-5-4-7-17(18)19(23-24)21(26)27-16-11-9-15(14-22)10-12-16/h4-5,7-12H,2-3,6,13H2,1H3