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

Systemtic Name: 3-nitro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: 3-nitro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide CAS Name: 3-nitro-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: 3-nitro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: 3-nitro-N-[2-(pyrazol-1-ylmethyl)benzyl]-4-(1,2,4-triazol-1-yl)benzamide Formula: C20H17N7O3 MolecularWeight: 403.39408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])CN4C=CC=N4

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])CN4C=CC=N4

InChI

InChI=1S/C20H17N7O3/c28-20(15-6-7-18(19(10-15)27(29)30)26-14-21-13-24-26)22-11-16-4-1-2-5-17(16)12-25-9-3-8-23-25/h1-10,13-14H,11-12H2,(H,22,28)