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

Systemtic Name: 3-nitro-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: 3-nitro-N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C26H21N7O3 MolecularWeight: 479.49004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNC(=O)C4=CC(=C(C=C4)N5C=NC=N5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNC(=O)C4=CC(=C(C=C4)N5C=NC=N5)[N+](=O)[O-]

InChI

InChI=1S/C26H21N7O3/c34-26(21-11-12-23(24(13-21)33(35)36)32-18-27-17-29-32)28-14-22-16-31(15-19-7-3-1-4-8-19)30-25(22)20-9-5-2-6-10-20/h1-13,16-18H,14-15H2,(H,28,34)