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

Systemtic Name: 1-[4-(4-fluoranyl-3-methyl-phenyl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine Openeye Name: 1-[3-(4-fluoro-3-methyl-phenyl)-1-methylene-prop-2-ynyl]-4-(3-nitro-2-pyridyl)piperazine CAS Name: 1-[4-(4-fluoro-3-methylphenyl)but-1-en-3-yn-2-yl]-4-(3-nitro-2-pyridinyl)piperazine IUPAC Name: 1-[4-(4-fluoro-3-methylphenyl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine Traditional Name: 1-[3-(4-fluoro-3-methyl-phenyl)-1-methylene-prop-2-ynyl]-4-(3-nitro-2-pyridyl)piperazine Formula: C20H19FN4O2 MolecularWeight: 366.388863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN4O2/c1-15-14-17(7-8-18(15)21)6-5-16(2)23-10-12-24(13-11-23)20-19(25(26)27)4-3-9-22-20/h3-4,7-9,14H,2,10-13H2,1H3