3-(5-methyl-3-nitro-pyrazol-1-yl)-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one

Systemtic Name: 3-(5-methyl-3-nitro-pyrazol-1-yl)-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one Openeye Name: 3-(5-methyl-3-nitro-pyrazol-1-yl)-1-[(3S)-3-methyl-1-piperidyl]propan-1-one CAS Name: 3-(5-methyl-3-nitro-1-pyrazolyl)-1-[(3S)-3-methyl-1-piperidinyl]-1-propanone IUPAC Name: 3-(5-methyl-3-nitropyrazol-1-yl)-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one Traditional Name: 3-(5-methyl-3-nitro-pyrazol-1-yl)-1-[(3S)-3-methylpiperidino]propan-1-one Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CCN2C(=CC(=N2)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CCN2C(=CC(=N2)[N+](=O)[O-])C

InChI

InChI=1S/C13H20N4O3/c1-10-4-3-6-15(9-10)13(18)5-7-16-11(2)8-12(14-16)17(19)20/h8,10H,3-7,9H2,1-2H3/t10-/m0/s1