2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone Traditional Name: 1-(4-benzylpiperidino)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCC(CC2)CC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCC(CC2)CC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O3/c1-14-19(23(25)26)15(2)22(20-14)13-18(24)21-10-8-17(9-11-21)12-16-6-4-3-5-7-16/h3-7,17H,8-13H2,1-2H3