1-(3-nitropyridin-2-yl)-4-(4-pyridin-2-ylbut-1-en-3-yn-2-yl)piperazine

Systemtic Name: 1-(3-nitropyridin-2-yl)-4-(4-pyridin-2-ylbut-1-en-3-yn-2-yl)piperazine Openeye Name: 1-[1-methylene-3-(2-pyridyl)prop-2-ynyl]-4-(3-nitro-2-pyridyl)piperazine CAS Name: 1-(3-nitro-2-pyridinyl)-4-[4-(2-pyridinyl)but-1-en-3-yn-2-yl]piperazine IUPAC Name: 1-(3-nitropyridin-2-yl)-4-(4-pyridin-2-ylbut-1-en-3-yn-2-yl)piperazine Traditional Name: 1-[1-methylene-3-(2-pyridyl)prop-2-ynyl]-4-(3-nitro-2-pyridyl)piperazine Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C#CC1=CC=CC=N1)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C=C(C#CC1=CC=CC=N1)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O2/c1-15(7-8-16-5-2-3-9-19-16)21-11-13-22(14-12-21)18-17(23(24)25)6-4-10-20-18/h2-6,9-10H,1,11-14H2