ethyl 1-[4-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[4-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[4-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C23H18F3N5O4 MolecularWeight: 485.41533

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C)C(F)(F)F

InChI

InChI=1S/C23H18F3N5O4/c1-3-35-22(34)17-12-27-31(19(17)23(24,25)26)14-10-8-13(9-11-14)28-20(32)18-15-6-4-5-7-16(15)21(33)30(2)29-18/h4-12H,3H2,1-2H3,(H,28,32)