N-[1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperidin-4-yl]benzamide

Systemtic Name: N-[1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperidin-4-yl]benzamide Openeye Name: N-[1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-4-piperidyl]benzamide CAS Name: N-[1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-4-piperidinyl]benzamide IUPAC Name: N-[1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperidin-4-yl]benzamide Traditional Name: N-[1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-4-piperidyl]benzamide Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC=CC=C2)CN3C=NC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC=CC=C2)CN3C=NC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O3/c28-21(17-4-2-1-3-5-17)23-18-10-12-25(13-11-18)15-26-14-22-20(24-26)16-6-8-19(9-7-16)27(29)30/h1-9,14,18H,10-13,15H2,(H,23,28)