methyl 4-(4-pyrrol-1-ylpiperidin-1-yl)-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate

Systemtic Name: methyl 4-(4-pyrrol-1-ylpiperidin-1-yl)-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate Openeye Name: methyl 4-(4-pyrrol-1-yl-1-piperidyl)-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate CAS Name: 4-[4-(1-pyrrolyl)-1-piperidinyl]-2-(trifluoromethyl)-7-thieno[3,4-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-pyrrol-1-ylpiperidin-1-yl)-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate Traditional Name: 4-(4-pyrrol-1-ylpiperidino)-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylic acid methyl ester Formula: C19H18F3N3O2S MolecularWeight: 409.42533

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CS1)C(=CC(=N2)C(F)(F)F)N3CCC(CC3)N4C=CC=C4

Isomeric SMILES

COC(=O)C1=C2C(=CS1)C(=CC(=N2)C(F)(F)F)N3CCC(CC3)N4C=CC=C4

InChI

InChI=1S/C19H18F3N3O2S/c1-27-18(26)17-16-13(11-28-17)14(10-15(23-16)19(20,21)22)25-8-4-12(5-9-25)24-6-2-3-7-24/h2-3,6-7,10-12H,4-5,8-9H2,1H3