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

Systemtic Name: 1-[4-(3-chloranyl-2-fluoranyl-phenyl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine Openeye Name: 1-[3-(3-chloro-2-fluoro-phenyl)-1-methylene-prop-2-ynyl]-4-(3-nitro-2-pyridyl)piperazine CAS Name: 1-[4-(3-chloro-2-fluorophenyl)but-1-en-3-yn-2-yl]-4-(3-nitro-2-pyridinyl)piperazine IUPAC Name: 1-[4-(3-chloro-2-fluorophenyl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine Traditional Name: 1-[3-(3-chloro-2-fluoro-phenyl)-1-methylene-prop-2-ynyl]-4-(3-nitro-2-pyridyl)piperazine Formula: C19H16ClFN4O2 MolecularWeight: 386.807343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClFN4O2/c1-14(7-8-15-4-2-5-16(20)18(15)21)23-10-12-24(13-11-23)19-17(25(26)27)6-3-9-22-19/h2-6,9H,1,10-13H2