3-(4-nitropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C(=O)CCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C(=O)CCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O3/c23-16(3-5-21-13-15(11-18-21)22(24)25)20-8-6-19(7-9-20)12-14-2-1-4-17-10-14/h1-2,4,10-11,13H,3,5-9,12H2