1-(4-nitrophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

Systemtic Name: 1-(4-nitrophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Openeye Name: 1-(4-nitrophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide CAS Name: 1-(4-nitrophenyl)-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 1-(4-nitrophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 1-(4-nitrophenyl)-N-[2-(pyrazol-1-ylmethyl)benzyl]pyrazole-4-carboxamide Formula: C21H18N6O3 MolecularWeight: 402.40602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)C2=CN(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])CN4C=CC=N4

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)C2=CN(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])CN4C=CC=N4

InChI

InChI=1S/C21H18N6O3/c28-21(18-13-24-26(15-18)19-6-8-20(9-7-19)27(29)30)22-12-16-4-1-2-5-17(16)14-25-11-3-10-23-25/h1-11,13,15H,12,14H2,(H,22,28)