1-(3-nitropyridin-2-yl)-4-[4-[3-(trifluoromethyloxy)phenyl]but-1-en-3-yn-2-yl]piperazine

Systemtic Name: 1-(3-nitropyridin-2-yl)-4-[4-[3-(trifluoromethyloxy)phenyl]but-1-en-3-yn-2-yl]piperazine Openeye Name: 1-[1-methylene-3-[3-(trifluoromethoxy)phenyl]prop-2-ynyl]-4-(3-nitro-2-pyridyl)piperazine CAS Name: 1-(3-nitro-2-pyridinyl)-4-[4-[3-(trifluoromethoxy)phenyl]but-1-en-3-yn-2-yl]piperazine IUPAC Name: 1-(3-nitropyridin-2-yl)-4-[4-[3-(trifluoromethoxy)phenyl]but-1-en-3-yn-2-yl]piperazine Traditional Name: 1-[1-methylene-3-[3-(trifluoromethoxy)phenyl]prop-2-ynyl]-4-(3-nitro-2-pyridyl)piperazine Formula: C20H17F3N4O3 MolecularWeight: 418.36919

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C#CC1=CC(=CC=C1)OC(F)(F)F)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C=C(C#CC1=CC(=CC=C1)OC(F)(F)F)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H17F3N4O3/c1-15(7-8-16-4-2-5-17(14-16)30-20(21,22)23)25-10-12-26(13-11-25)19-18(27(28)29)6-3-9-24-19/h2-6,9,14H,1,10-13H2