1-(3-nitropyridin-2-yl)-4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]piperazine

Systemtic Name: 1-(3-nitropyridin-2-yl)-4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]piperazine Openeye Name: 1-(3-nitro-2-pyridyl)-4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]piperazine CAS Name: 1-(3-nitro-2-pyridinyl)-4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]piperazine IUPAC Name: 1-(3-nitropyridin-2-yl)-4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]piperazine Traditional Name: 1-(3-nitro-2-pyridyl)-4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]piperazine Formula: C19H17F3N4O2 MolecularWeight: 390.35909

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#CC2=CC(=CC=C2)C(F)(F)F)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC#CC2=CC(=CC=C2)C(F)(F)F)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H17F3N4O2/c20-19(21,22)16-6-1-4-15(14-16)5-3-9-24-10-12-25(13-11-24)18-17(26(27)28)7-2-8-23-18/h1-2,4,6-8,14H,9-13H2