methyl 1-[[4-(trifluoromethyl)phenyl]amino]isoquinoline-4-carboxylate

Systemtic Name: methyl 1-[[4-(trifluoromethyl)phenyl]amino]isoquinoline-4-carboxylate Openeye Name: methyl 1-[4-(trifluoromethyl)anilino]isoquinoline-4-carboxylate CAS Name: 1-[4-(trifluoromethyl)anilino]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(trifluoromethyl)anilino]isoquinoline-4-carboxylate Traditional Name: 1-[4-(trifluoromethyl)anilino]isoquinoline-4-carboxylic acid methyl ester Formula: C18H13F3N2O2 MolecularWeight: 346.30323

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C2=CC=CC=C21)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CN=C(C2=CC=CC=C21)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H13F3N2O2/c1-25-17(24)15-10-22-16(14-5-3-2-4-13(14)15)23-12-8-6-11(7-9-12)18(19,20)21/h2-10H,1H3,(H,22,23)