[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C25H29N3O4 MolecularWeight: 435.51546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C25H29N3O4/c1-4-5-6-9-12-28-24(30)21-11-8-7-10-20(21)23(27-28)25(31)32-16-22(29)26-19-14-17(2)13-18(3)15-19/h7-8,10-11,13-15H,4-6,9,12,16H2,1-3H3,(H,26,29)