[1-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [1-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [1-methyl-2-[2-morpholino-5-(trifluoromethyl)anilino]-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [1-[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-keto-1-methyl-2-[2-morpholino-5-(trifluoromethyl)anilino]ethyl] ester Formula: C23H21F3N4O5 MolecularWeight: 490.43185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2)OC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2)OC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C23H21F3N4O5/c1-13(35-22(33)19-15-4-2-3-5-16(15)21(32)29-28-19)20(31)27-17-12-14(23(24,25)26)6-7-18(17)30-8-10-34-11-9-30/h2-7,12-13H,8-11H2,1H3,(H,27,31)(H,29,32)