methyl 2-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[2-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]isoquinoline-4-carboxylic acid methyl ester Formula: C18H15F3N4O4 MolecularWeight: 408.33131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC)C(F)(F)F

Isomeric SMILES

CC1=CC(=NN1CC(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C18H15F3N4O4/c1-10-7-14(18(19,20)21)22-24(10)9-15(26)23-25-8-13(17(28)29-2)11-5-3-4-6-12(11)16(25)27/h3-8H,9H2,1-2H3,(H,23,26)