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

Systemtic Name: 3-phenylbutyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate Openeye Name: 3-phenylbutyl 4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxylic acid 3-phenylbutyl ester IUPAC Name: 3-phenylbutyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxylic acid 3-phenylbutyl ester Formula: C21H24F3N3O2 MolecularWeight: 407.42937

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(=O)N1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC(CCOC(=O)N1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C21H24F3N3O2/c1-16(17-5-3-2-4-6-17)9-14-29-20(28)27-12-10-26(11-13-27)19-8-7-18(15-25-19)21(22,23)24/h2-8,15-16H,9-14H2,1H3