2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[[2-(1-piperidylmethyl)phenyl]methyl]acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[[2-(1-piperidinylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-(piperidinomethyl)benzyl]acetamide Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NCC2=CC=CC=C2CN3CCCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NCC2=CC=CC=C2CN3CCCCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O3/c1-15-20(25(27)28)16(2)24(22-15)14-19(26)21-12-17-8-4-5-9-18(17)13-23-10-6-3-7-11-23/h4-5,8-9H,3,6-7,10-14H2,1-2H3,(H,21,26)