2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-chloranylpyridine-3-carboxylate

Systemtic Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-chloranylpyridine-3-carboxylate Openeye Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid 2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid 2-[4-[3-(trifluoromethyl)phenyl]piperazino]ethyl ester Formula: C19H19ClF3N3O2 MolecularWeight: 413.82127

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)C2=C(N=CC=C2)Cl)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCOC(=O)C2=C(N=CC=C2)Cl)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H19ClF3N3O2/c20-17-16(5-2-6-24-17)18(27)28-12-11-25-7-9-26(10-8-25)15-4-1-3-14(13-15)19(21,22)23/h1-6,13H,7-12H2