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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CN2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CN2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)C(=O)OC

InChI

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