4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[(4-fluorophenyl)methyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-fluorobenzyl)benzamide Formula: C20H19FN4O3 MolecularWeight: 382.388263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)F)C)[N+](=O)[O-]

InChI

InChI=1S/C20H19FN4O3/c1-13-19(25(27)28)14(2)24(23-13)12-16-3-7-17(8-4-16)20(26)22-11-15-5-9-18(21)10-6-15/h3-10H,11-12H2,1-2H3,(H,22,26)