4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-piperidin-1-ylphenyl)benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-piperidin-1-ylphenyl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(1-piperidyl)phenyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[2-(1-piperidinyl)phenyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(2-piperidin-1-ylphenyl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-piperidinophenyl)benzamide Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N4CCCCC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N4CCCCC4)C)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O3/c1-17-23(29(31)32)18(2)28(26-17)16-19-10-12-20(13-11-19)24(30)25-21-8-4-5-9-22(21)27-14-6-3-7-15-27/h4-5,8-13H,3,6-7,14-16H2,1-2H3,(H,25,30)