1-[3-nitro-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[3-nitro-4-[4-(3-pyridylmethyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[3-nitro-4-[4-(3-pyridinylmethyl)-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[3-nitro-4-[4-(3-pyridylmethyl)piperazino]phenyl]ethanone Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3/c1-14(23)16-4-5-17(18(11-16)22(24)25)21-9-7-20(8-10-21)13-15-3-2-6-19-12-15/h2-6,11-12H,7-10,13H2,1H3