4-methyl-2-[2-(4-methylphenyl)ethynyl]-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-4-phenyl-pentanamide

Systemtic Name: 4-methyl-2-[2-(4-methylphenyl)ethynyl]-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-4-phenyl-pentanamide Openeye Name: 2-hydroxy-4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-phenyl-2-[2-(p-tolyl)ethynyl]pentanamide CAS Name: 2-hydroxy-4-methyl-2-[2-(4-methylphenyl)ethynyl]-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-phenylpentanamide IUPAC Name: 2-hydroxy-4-methyl-2-[2-(4-methylphenyl)ethynyl]-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-phenylpentanamide Traditional Name: 2-hydroxy-2-neophyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-(p-tolyl)but-3-ynamide Formula: C28H25F3N2O4 MolecularWeight: 510.50431

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC(CC(C)(C)C2=CC=CC=C2)(C(=O)NC3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F)O

Isomeric SMILES

CC1=CC=C(C=C1)C#CC(CC(C)(C)C2=CC=CC=C2)(C(=O)NC3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F)O

InChI

InChI=1S/C28H25F3N2O4/c1-19-9-11-20(12-10-19)15-16-27(35,18-26(2,3)21-7-5-4-6-8-21)25(34)32-22-13-14-24(33(36)37)23(17-22)28(29,30)31/h4-14,17,35H,18H2,1-3H3,(H,32,34)