2-(methylamino)-5-nitro-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]benzamide

Systemtic Name: 2-(methylamino)-5-nitro-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]benzamide Openeye Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-2-(methylamino)-5-nitro-benzamide CAS Name: 2-(methylamino)-5-nitro-N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]benzamide IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(methylamino)-5-nitrobenzamide Traditional Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-2-(methylamino)-5-nitro-benzamide Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H23N5O3/c1-26-23-13-12-21(30(32)33)14-22(23)25(31)27-15-20-17-29(16-18-8-4-2-5-9-18)28-24(20)19-10-6-3-7-11-19/h2-14,17,26H,15-16H2,1H3,(H,27,31)