1-[4-(6-fluoranylpyridin-3-yl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine

Systemtic Name: 1-[4-(6-fluoranylpyridin-3-yl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine Openeye Name: 1-[3-(6-fluoro-3-pyridyl)-1-methylene-prop-2-ynyl]-4-(3-nitro-2-pyridyl)piperazine CAS Name: 1-[4-(6-fluoro-3-pyridinyl)but-1-en-3-yn-2-yl]-4-(3-nitro-2-pyridinyl)piperazine IUPAC Name: 1-[4-(6-fluoropyridin-3-yl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine Traditional Name: 1-[3-(6-fluoro-3-pyridyl)-1-methylene-prop-2-ynyl]-4-(3-nitro-2-pyridyl)piperazine Formula: C18H16FN5O2 MolecularWeight: 353.350343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16FN5O2/c1-14(4-5-15-6-7-17(19)21-13-15)22-9-11-23(12-10-22)18-16(24(25)26)3-2-8-20-18/h2-3,6-8,13H,1,9-12H2