N-(1-methylpiperidin-4-yl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(1-methylpiperidin-4-yl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-(1-methyl-4-piperidyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-(1-methyl-4-piperidinyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-methylpiperidin-4-yl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(1-methyl-4-piperidyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C13H18N8O3 MolecularWeight: 334.33382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)NC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

CN1CCC(CC1)NC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H18N8O3/c1-18-5-2-10(3-6-18)15-12(22)11-4-7-19(16-11)9-20-8-14-13(17-20)21(23)24/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,15,22)