methyl 2-[[6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridazinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-keto-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H20F3N3O4 MolecularWeight: 459.41781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NC(CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H20F3N3O4/c1-14-11-19(30)20(28-29(14)17-10-6-9-16(13-17)23(24,25)26)21(31)27-18(22(32)33-2)12-15-7-4-3-5-8-15/h3-11,13,18H,12H2,1-2H3,(H,27,31)