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

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

CC1=C(C(=NC=C1)N2CCN(CC2)C(=O)C#CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC=C1)N2CCN(CC2)C(=O)C#CC3=CC=CC=C3)[N+](=O)[O-]

InChI

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