2-(3-methylphenyl)ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: 2-(3-methylphenyl)ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate Openeye Name: 2-(m-tolyl)ethyl 4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxylic acid 2-(3-methylphenyl)ethyl ester IUPAC Name: 2-(3-methylphenyl)ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxylic acid 2-(m-tolyl)ethyl ester Formula: C20H22F3N3O2 MolecularWeight: 393.40279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCOC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)CCOC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3O2/c1-15-3-2-4-16(13-15)7-12-28-19(27)26-10-8-25(9-11-26)18-6-5-17(14-24-18)20(21,22)23/h2-6,13-14H,7-12H2,1H3