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

Systemtic Name: (4-cyanophenyl) 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-cyanophenyl) 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid (4-cyanophenyl) ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H21N3O3/c1-2-3-4-7-14-25-21(26)19-9-6-5-8-18(19)20(24-25)22(27)28-17-12-10-16(15-23)11-13-17/h5-6,8-13H,2-4,7,14H2,1H3