1-[4-(3-nitropyridin-2-yl)piperazin-1-yl]-3-pyridin-3-yl-prop-2-yn-1-one

Systemtic Name: 1-[4-(3-nitropyridin-2-yl)piperazin-1-yl]-3-pyridin-3-yl-prop-2-yn-1-one Openeye Name: 1-[4-(3-nitro-2-pyridyl)piperazin-1-yl]-3-(3-pyridyl)prop-2-yn-1-one CAS Name: 1-[4-(3-nitro-2-pyridinyl)-1-piperazinyl]-3-(3-pyridinyl)-2-propyn-1-one IUPAC Name: 1-[4-(3-nitropyridin-2-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-yn-1-one Traditional Name: 1-[4-(3-nitro-2-pyridyl)piperazino]-3-(3-pyridyl)prop-2-yn-1-one Formula: C17H15N5O3 MolecularWeight: 337.3327

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)[N+](=O)[O-])C(=O)C#CC3=CN=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)[N+](=O)[O-])C(=O)C#CC3=CN=CC=C3

InChI

InChI=1S/C17H15N5O3/c23-16(6-5-14-3-1-7-18-13-14)20-9-11-21(12-10-20)17-15(22(24)25)4-2-8-19-17/h1-4,7-8,13H,9-12H2