1-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonyl-N-phenyl-piperidine-3-carboxamide

Systemtic Name: 1-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonyl-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[[4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: 1-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]-N-phenyl-nipecotamide Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3CCCC(C3)C(=O)NC4=CC=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3CCCC(C3)C(=O)NC4=CC=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O4/c1-17-23(30(33)34)18(2)29(27-17)15-19-10-12-20(13-11-19)25(32)28-14-6-7-21(16-28)24(31)26-22-8-4-3-5-9-22/h3-5,8-13,21H,6-7,14-16H2,1-2H3,(H,26,31)