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

Systemtic Name: 1-[4-(3-nitropyridin-2-yl)piperazin-1-yl]-3-phenyl-prop-2-yn-1-one Openeye Name: 1-[4-(3-nitro-2-pyridyl)piperazin-1-yl]-3-phenyl-prop-2-yn-1-one CAS Name: 1-[4-(3-nitro-2-pyridinyl)-1-piperazinyl]-3-phenyl-2-propyn-1-one IUPAC Name: 1-[4-(3-nitropyridin-2-yl)piperazin-1-yl]-3-phenylprop-2-yn-1-one Traditional Name: 1-[4-(3-nitro-2-pyridyl)piperazino]-3-phenyl-prop-2-yn-1-one Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O3/c23-17(9-8-15-5-2-1-3-6-15)20-11-13-21(14-12-20)18-16(22(24)25)7-4-10-19-18/h1-7,10H,11-14H2