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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)OCCCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)OCCCCC3=CC=CC=C3

InChI

InChI=1S/C21H24F3N3O2/c22-21(23,24)18-9-10-19(25-16-18)26-11-13-27(14-12-26)20(28)29-15-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,9-10,16H,4-5,8,11-15H2