2-(3-methyl-4-nitro-pyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(3-methyl-4-nitro-pyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 2-(3-methyl-4-nitro-pyrazol-1-yl)-1-[4-(3-pyridylmethyl)piperazin-1-yl]propan-1-one CAS Name: 2-(3-methyl-4-nitro-1-pyrazolyl)-1-[4-(3-pyridinylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-(3-methyl-4-nitropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one Traditional Name: 2-(3-methyl-4-nitro-pyrazol-1-yl)-1-[4-(3-pyridylmethyl)piperazino]propan-1-one Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O3/c1-13-16(23(25)26)12-22(19-13)14(2)17(24)21-8-6-20(7-9-21)11-15-4-3-5-18-10-15/h3-5,10,12,14H,6-9,11H2,1-2H3