[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C26H29N3O5 MolecularWeight: 463.52556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O5/c1-3-5-6-9-16-29-25(32)21-11-8-7-10-20(21)24(28-29)26(33)34-17-22(30)18-12-14-19(15-13-18)27-23(31)4-2/h7-8,10-15H,3-6,9,16-17H2,1-2H3,(H,27,31)