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

Systemtic Name: methyl 2-[2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C18H14BrF3N4O4 MolecularWeight: 487.22737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrF3N4O4/c1-9-14(19)15(18(20,21)22)24-25(9)8-13(27)23-26-7-12(17(29)30-2)10-5-3-4-6-11(10)16(26)28/h3-7H,8H2,1-2H3,(H,23,27)