propan-2-yl (5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyl-1,2,3,4-tetrazol-5-yl)amino]-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylate

Systemtic Name: propan-2-yl (5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyl-1,2,3,4-tetrazol-5-yl)amino]-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylate Openeye Name: isopropyl (5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylate CAS Name: (5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyl-5-tetrazolyl)amino]-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylate Traditional Name: (5S)-5-[[3,5-bis(trifluoromethyl)benzyl]-(2-methyltetrazol-5-yl)amino]-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid isopropyl ester Formula: C27H27F9N6O2 MolecularWeight: 638.527909

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(CCCN2C(=O)OC(C)C)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NN(N=N4)C)C(F)(F)F

Isomeric SMILES

CC1=C(C=C2C(=C1)[C@H](CCCN2C(=O)OC(C)C)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NN(N=N4)C)C(F)(F)F

InChI

InChI=1S/C27H27F9N6O2/c1-14(2)44-24(43)41-7-5-6-21(19-8-15(3)20(12-22(19)41)27(34,35)36)42(23-37-39-40(4)38-23)13-16-9-17(25(28,29)30)11-18(10-16)26(31,32)33/h8-12,14,21H,5-7,13H2,1-4H3/t21-/m0/s1