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

Systemtic Name: 3-(4-methoxyphenyl)-1-[4-(3-nitropyridin-2-yl)piperazin-1-yl]prop-2-yn-1-one Openeye Name: 3-(4-methoxyphenyl)-1-[4-(3-nitro-2-pyridyl)piperazin-1-yl]prop-2-yn-1-one CAS Name: 3-(4-methoxyphenyl)-1-[4-(3-nitro-2-pyridinyl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 3-(4-methoxyphenyl)-1-[4-(3-nitropyridin-2-yl)piperazin-1-yl]prop-2-yn-1-one Traditional Name: 3-(4-methoxyphenyl)-1-[4-(3-nitro-2-pyridyl)piperazino]prop-2-yn-1-one Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC(=O)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C#CC(=O)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4/c1-27-16-7-4-15(5-8-16)6-9-18(24)21-11-13-22(14-12-21)19-17(23(25)26)3-2-10-20-19/h2-5,7-8,10H,11-14H2,1H3