(2S)-1-[(3S)-3-[2,4-bis(chloranyl)phenoxy]-7-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-phenyl-propan-1-one

Systemtic Name: (2S)-1-[(3S)-3-[2,4-bis(chloranyl)phenoxy]-7-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-phenyl-propan-1-one Openeye Name: (2S)-1-[(3S)-3-(2,4-dichlorophenoxy)-7-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-phenyl-propan-1-one CAS Name: (2S)-1-[(3S)-3-(2,4-dichlorophenoxy)-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-phenyl-1-propanone IUPAC Name: (2S)-1-[(3S)-3-(2,4-dichlorophenoxy)-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-phenylpropan-1-one Traditional Name: (2S)-1-[(3S)-3-(2,4-dichlorophenoxy)-7-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-phenyl-propan-1-one Formula: C28H23Cl2F6NO3 MolecularWeight: 606.383539

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)N2CC(CCC3=C2C=CC(=C3)C(C(F)(F)F)(C(F)(F)F)O)OC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)C(=O)N2C[C@H](CCC3=C2C=CC(=C3)C(C(F)(F)F)(C(F)(F)F)O)OC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C28H23Cl2F6NO3/c1-16(17-5-3-2-4-6-17)25(38)37-15-21(40-24-12-9-20(29)14-22(24)30)10-7-18-13-19(8-11-23(18)37)26(39,27(31,32)33)28(34,35)36/h2-6,8-9,11-14,16,21,39H,7,10,15H2,1H3/t16-,21-/m0/s1