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

Systemtic Name: 1-[4-(4-nitropyridin-3-yl)piperazin-1-yl]-3-phenyl-prop-2-yn-1-one Openeye Name: 1-[4-(4-nitro-3-pyridyl)piperazin-1-yl]-3-phenyl-prop-2-yn-1-one CAS Name: 1-[4-(4-nitro-3-pyridinyl)-1-piperazinyl]-3-phenyl-2-propyn-1-one IUPAC Name: 1-[4-(4-nitropyridin-3-yl)piperazin-1-yl]-3-phenylprop-2-yn-1-one Traditional Name: 1-[4-(4-nitro-3-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=CN=C2)[N+](=O)[O-])C(=O)C#CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=CN=C2)[N+](=O)[O-])C(=O)C#CC3=CC=CC=C3

InChI

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