N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1-(2-nitrophenyl)isonipecotamide Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2=CC(=NN2)NC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CC2=CC(=NN2)NC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O3/c28-22(23-21-15-18(24-25-21)14-16-6-2-1-3-7-16)17-10-12-26(13-11-17)19-8-4-5-9-20(19)27(29)30/h4-5,8-9,15-17H,1-3,6-7,10-14H2,(H2,23,24,25,28)