4-[[(4-tert-butylcyclohexyl)-[[4-fluoranyl-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-1,2,3,4-tetrazol-5-yl)benzamide

Systemtic Name: 4-[[(4-tert-butylcyclohexyl)-[[4-fluoranyl-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-1,2,3,4-tetrazol-5-yl)benzamide Openeye Name: 4-[[(4-tert-butylcyclohexyl)-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide CAS Name: 4-[[(4-tert-butylcyclohexyl)-[[4-fluoro-3-(trifluoromethyl)anilino]-oxomethyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide IUPAC Name: 4-[[(4-tert-butylcyclohexyl)-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide Traditional Name: 4-[[(4-tert-butylcyclohexyl)-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide Formula: C27H31F4N7O2 MolecularWeight: 561.574353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NC3=NNN=N3)C(=O)NC4=CC(=C(C=C4)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NC3=NNN=N3)C(=O)NC4=CC(=C(C=C4)F)C(F)(F)F

InChI

InChI=1S/C27H31F4N7O2/c1-26(2,3)18-8-11-20(12-9-18)38(25(40)32-19-10-13-22(28)21(14-19)27(29,30)31)15-16-4-6-17(7-5-16)23(39)33-24-34-36-37-35-24/h4-7,10,13-14,18,20H,8-9,11-12,15H2,1-3H3,(H,32,40)(H2,33,34,35,36,37,39)