methyl 2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-methyl-amino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-methyl-amino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]-methyl-amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]-methyl-amino]-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C18H13ClF3N3O3 MolecularWeight: 411.76233

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C=C(C3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C=C(C3=CC=CC=C3C2=O)C(=O)OC

InChI

InChI=1S/C18H13ClF3N3O3/c1-24(15-14(19)7-10(8-23-15)18(20,21)22)25-9-13(17(27)28-2)11-5-3-4-6-12(11)16(25)26/h3-9H,1-2H3