methyl 3-methyl-5-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 3-methyl-5-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 3-methyl-5-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methyl]furan-2-carboxylate CAS Name: 3-methyl-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-methyl-5-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]furan-2-carboxylate Traditional Name: 3-methyl-5-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]methyl]furan-2-carboxylic acid methyl ester Formula: C18H20F3N3O3 MolecularWeight: 383.36491

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)CN2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)CN2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C18H20F3N3O3/c1-12-9-14(27-16(12)17(25)26-2)11-23-5-7-24(8-6-23)15-4-3-13(10-22-15)18(19,20)21/h3-4,9-10H,5-8,11H2,1-2H3