1-[4-(5-nitropyridin-2-yl)but-3-ynyl]-4-pyridin-2-yl-piperazine

Systemtic Name: 1-[4-(5-nitropyridin-2-yl)but-3-ynyl]-4-pyridin-2-yl-piperazine Openeye Name: 1-[4-(5-nitro-2-pyridyl)but-3-ynyl]-4-(2-pyridyl)piperazine CAS Name: 1-[4-(5-nitro-2-pyridinyl)but-3-ynyl]-4-(2-pyridinyl)piperazine IUPAC Name: 1-[4-(5-nitropyridin-2-yl)but-3-ynyl]-4-pyridin-2-ylpiperazine Traditional Name: 1-[4-(5-nitro-2-pyridyl)but-3-ynyl]-4-(2-pyridyl)piperazine Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#CC2=NC=C(C=C2)[N+](=O)[O-])C3=CC=CC=N3

Isomeric SMILES

C1CN(CCN1CCC#CC2=NC=C(C=C2)[N+](=O)[O-])C3=CC=CC=N3

InChI

InChI=1S/C18H19N5O2/c24-23(25)17-8-7-16(20-15-17)5-2-4-10-21-11-13-22(14-12-21)18-6-1-3-9-19-18/h1,3,6-9,15H,4,10-14H2