N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-4-nitro-benzamide

Systemtic Name: N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-4-nitro-benzamide Openeye Name: N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-4-nitro-benzamide CAS Name: N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]-4-pyrazolyl]ethyl]-4-nitrobenzamide IUPAC Name: N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-4-nitrobenzamide Traditional Name: N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-4-nitro-benzamide Formula: C20H17F3N4O3 MolecularWeight: 418.36919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC(=C2)C(F)(F)F)C(C)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC(=C2)C(F)(F)F)C(C)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17F3N4O3/c1-12(25-19(28)14-6-8-16(9-7-14)27(29)30)18-11-24-26(13(18)2)17-5-3-4-15(10-17)20(21,22)23/h3-12H,1-2H3,(H,25,28)