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

Systemtic Name: 1-[2-methyl-4-(3-nitropyridin-2-yl)piperazin-1-yl]-3-phenyl-prop-2-yn-1-one Openeye Name: 1-[2-methyl-4-(3-nitro-2-pyridyl)piperazin-1-yl]-3-phenyl-prop-2-yn-1-one CAS Name: 1-[2-methyl-4-(3-nitro-2-pyridinyl)-1-piperazinyl]-3-phenyl-2-propyn-1-one IUPAC Name: 1-[2-methyl-4-(3-nitropyridin-2-yl)piperazin-1-yl]-3-phenylprop-2-yn-1-one Traditional Name: 1-[2-methyl-4-(3-nitro-2-pyridyl)piperazino]-3-phenyl-prop-2-yn-1-one Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C#CC2=CC=CC=C2)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CCN1C(=O)C#CC2=CC=CC=C2)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3/c1-15-14-21(19-17(23(25)26)8-5-11-20-19)12-13-22(15)18(24)10-9-16-6-3-2-4-7-16/h2-8,11,15H,12-14H2,1H3