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

Systemtic Name: 1-(3-nitropyridin-2-yl)-4-(4-pyridin-3-ylbut-1-en-3-yn-2-yl)piperazine Openeye Name: 1-[1-methylene-3-(3-pyridyl)prop-2-ynyl]-4-(3-nitro-2-pyridyl)piperazine CAS Name: 1-(3-nitro-2-pyridinyl)-4-[4-(3-pyridinyl)but-1-en-3-yn-2-yl]piperazine IUPAC Name: 1-(3-nitropyridin-2-yl)-4-(4-pyridin-3-ylbut-1-en-3-yn-2-yl)piperazine Traditional Name: 1-[1-methylene-3-(3-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=CN=CC=C1)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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