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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[[2-(1-piperidylmethyl)phenyl]methyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[[2-(1-piperidinylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(piperidinomethyl)benzyl]benzamide Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3CN4CCCCC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3CN4CCCCC4)C)[N+](=O)[O-]

InChI

InChI=1S/C26H31N5O3/c1-19-25(31(33)34)20(2)30(28-19)17-21-10-12-22(13-11-21)26(32)27-16-23-8-4-5-9-24(23)18-29-14-6-3-7-15-29/h4-5,8-13H,3,6-7,14-18H2,1-2H3,(H,27,32)