2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-phenethylpiperidin-1-yl)ethanone

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-phenethylpiperidin-1-yl)ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-phenethyl-1-piperidyl)ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-(4-phenethyl-1-piperidinyl)ethanone IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-(4-phenethylpiperidin-1-yl)ethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-phenethylpiperidino)ethanone Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCC(CC2)CCC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCC(CC2)CCC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O3/c1-15-20(24(26)27)16(2)23(21-15)14-19(25)22-12-10-18(11-13-22)9-8-17-6-4-3-5-7-17/h3-7,18H,8-14H2,1-2H3