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

Systemtic Name: 3-(3-methylpyridin-2-yl)-1-[4-(3-nitropyridin-2-yl)piperazin-1-yl]prop-2-yn-1-one Openeye Name: 3-(3-methyl-2-pyridyl)-1-[4-(3-nitro-2-pyridyl)piperazin-1-yl]prop-2-yn-1-one CAS Name: 3-(3-methyl-2-pyridinyl)-1-[4-(3-nitro-2-pyridinyl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 3-(3-methylpyridin-2-yl)-1-[4-(3-nitropyridin-2-yl)piperazin-1-yl]prop-2-yn-1-one Traditional Name: 3-(3-methyl-2-pyridyl)-1-[4-(3-nitro-2-pyridyl)piperazino]prop-2-yn-1-one Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C#CC(=O)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=CC=C1)C#CC(=O)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3/c1-14-4-2-8-19-15(14)6-7-17(24)21-10-12-22(13-11-21)18-16(23(25)26)5-3-9-20-18/h2-5,8-9H,10-13H2,1H3