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

Systemtic Name: 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide Openeye Name: 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide CAS Name: 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-N-(1-phenylpropyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide Traditional Name: 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide Formula: C16H17N7O3 MolecularWeight: 355.35128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N7O3/c1-2-13(12-6-4-3-5-7-12)18-15(24)14-8-9-21(19-14)11-22-10-17-16(20-22)23(25)26/h3-10,13H,2,11H2,1H3,(H,18,24)