[(2R,4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyl-1,2,3,4-tetrazol-5-yl)amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-[4-(2-hydroxyethyl)cyclohexyl]methanone

Systemtic Name: [(2R,4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyl-1,2,3,4-tetrazol-5-yl)amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-[4-(2-hydroxyethyl)cyclohexyl]methanone Openeye Name: [(2R,4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-[4-(2-hydroxyethyl)cyclohexyl]methanone CAS Name: [(2R,4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyl-5-tetrazolyl)amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-[4-(2-hydroxyethyl)cyclohexyl]methanone IUPAC Name: [(2R,4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-[4-(2-hydroxyethyl)cyclohexyl]methanone Traditional Name: [(2R,4R)-4-[[3,5-bis(trifluoromethyl)benzyl]-(2-methyltetrazol-5-yl)amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-[4-(2-hydroxyethyl)cyclohexyl]methanone Formula: C32H35F9N6O2 MolecularWeight: 706.644929

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(C2=C(N1C(=O)C3CCC(CC3)CCO)C=CC(=C2)C(F)(F)F)N(CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=NN(N=N5)C

Isomeric SMILES

CC[C@@H]1C[C@H](C2=C(N1C(=O)C3CCC(CC3)CCO)C=CC(=C2)C(F)(F)F)N(CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=NN(N=N5)C

InChI

InChI=1S/C32H35F9N6O2/c1-3-24-16-27(46(29-42-44-45(2)43-29)17-19-12-22(31(36,37)38)14-23(13-19)32(39,40)41)25-15-21(30(33,34)35)8-9-26(25)47(24)28(49)20-6-4-18(5-7-20)10-11-48/h8-9,12-15,18,20,24,27,48H,3-7,10-11,16-17H2,1-2H3/t18?,20?,24-,27-/m1/s1