methyl 1-oxidanylidene-2-[2-[3-(trifluoromethyl)phenyl]ethanoylamino]isoquinoline-4-carboxylate

Systemtic Name: methyl 1-oxidanylidene-2-[2-[3-(trifluoromethyl)phenyl]ethanoylamino]isoquinoline-4-carboxylate Openeye Name: methyl 1-oxo-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]isoquinoline-4-carboxylate CAS Name: 1-oxo-2-[[1-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-oxo-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]isoquinoline-4-carboxylate Traditional Name: 1-keto-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]isoquinoline-4-carboxylic acid methyl ester Formula: C20H15F3N2O4 MolecularWeight: 404.33931

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H15F3N2O4/c1-29-19(28)16-11-25(18(27)15-8-3-2-7-14(15)16)24-17(26)10-12-5-4-6-13(9-12)20(21,22)23/h2-9,11H,10H2,1H3,(H,24,26)