(3,4-dimethylphenyl) 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: (3,4-dimethylphenyl) 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: (3,4-dimethylphenyl) 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid (3,4-dimethylphenyl) ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3/c1-4-5-8-13-24-21(25)19-10-7-6-9-18(19)20(23-24)22(26)27-17-12-11-15(2)16(3)14-17/h6-7,9-12,14H,4-5,8,13H2,1-3H3