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

Systemtic Name: methyl 1-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]carbonylamino]isoquinoline-4-carboxylate Openeye Name: methyl 1-oxo-2-[[3-(trifluoromethyl)benzoyl]amino]isoquinoline-4-carboxylate CAS Name: 1-oxo-2-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-oxo-2-[[3-(trifluoromethyl)benzoyl]amino]isoquinoline-4-carboxylate Traditional Name: 1-keto-2-[[3-(trifluoromethyl)benzoyl]amino]isoquinoline-4-carboxylic acid methyl ester Formula: C19H13F3N2O4 MolecularWeight: 390.31273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13F3N2O4/c1-28-18(27)15-10-24(17(26)14-8-3-2-7-13(14)15)23-16(25)11-5-4-6-12(9-11)19(20,21)22/h2-10H,1H3,(H,23,25)