[2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-[4-(trifluoromethoxy)anilino]ethyl] ester Formula: C23H22F3N3O5 MolecularWeight: 477.43309

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C23H22F3N3O5/c1-2-3-6-13-29-21(31)18-8-5-4-7-17(18)20(28-29)22(32)33-14-19(30)27-15-9-11-16(12-10-15)34-23(24,25)26/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,27,30)