1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-4-phenylmethoxy-piperidine

Systemtic Name: 1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-4-phenylmethoxy-piperidine Openeye Name: 4-benzyloxy-1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperidine CAS Name: 1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-4-phenylmethoxypiperidine IUPAC Name: 1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-4-phenylmethoxypiperidine Traditional Name: 4-benzoxy-1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperidine Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OCC2=CC=CC=C2)CN3C=NC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1OCC2=CC=CC=C2)CN3C=NC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3/c27-26(28)19-8-6-18(7-9-19)21-22-15-25(23-21)16-24-12-10-20(11-13-24)29-14-17-4-2-1-3-5-17/h1-9,15,20H,10-14,16H2