2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)-1-[4-(3-pyridylmethyl)piperazin-1-yl]propan-1-one CAS Name: 2-methyl-3-(5-methyl-3-nitro-1-pyrazolyl)-1-[4-(3-pyridinylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one Traditional Name: 2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)-1-[4-(3-pyridylmethyl)piperazino]propan-1-one Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(C)C(=O)N2CCN(CC2)CC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC(C)C(=O)N2CCN(CC2)CC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O3/c1-14(12-23-15(2)10-17(20-23)24(26)27)18(25)22-8-6-21(7-9-22)13-16-4-3-5-19-11-16/h3-5,10-11,14H,6-9,12-13H2,1-2H3