(1-ethyl-4-nitro-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (1-ethyl-4-nitro-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone Openeye Name: (1-ethyl-4-nitro-pyrazol-3-yl)-[4-(3-pyridylmethyl)piperazin-1-yl]methanone CAS Name: (1-ethyl-4-nitro-3-pyrazolyl)-[4-(3-pyridinylmethyl)-1-piperazinyl]methanone IUPAC Name: (1-ethyl-4-nitropyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone Traditional Name: (1-ethyl-4-nitro-pyrazol-3-yl)-[4-(3-pyridylmethyl)piperazino]methanone Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)N2CCN(CC2)CC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)N2CCN(CC2)CC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O3/c1-2-21-12-14(22(24)25)15(18-21)16(23)20-8-6-19(7-9-20)11-13-4-3-5-17-10-13/h3-5,10,12H,2,6-9,11H2,1H3