1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide CAS Name: 1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]isonipecotamide Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=C2)CN3C=NC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=C2)CN3C=NC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O3/c29-22(23-14-17-4-2-1-3-5-17)19-10-12-26(13-11-19)16-27-15-24-21(25-27)18-6-8-20(9-7-18)28(30)31/h1-9,15,19H,10-14,16H2,(H,23,29)