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

Systemtic Name: 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide Openeye Name: 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide CAS Name: 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-N-[3-(1-pyrazolylmethyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide Traditional Name: 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide Formula: C17H15N9O3 MolecularWeight: 393.3595

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-])CN4C=CC=N4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-])CN4C=CC=N4

InChI

InChI=1S/C17H15N9O3/c27-16(20-14-4-1-3-13(9-14)10-23-7-2-6-19-23)15-5-8-24(21-15)12-25-11-18-17(22-25)26(28)29/h1-9,11H,10,12H2,(H,20,27)