1-[(1S,2R,5S)-5-(3-bromophenyl)-2-bicyclo[3.1.0]hexanyl]-3-[4-fluoranyl-3-(trifluoromethyl)phenyl]-1-[2-[(3R)-3-oxidanylpyrrolidin-1-yl]ethyl]urea

Systemtic Name: 1-[(1S,2R,5S)-5-(3-bromophenyl)-2-bicyclo[3.1.0]hexanyl]-3-[4-fluoranyl-3-(trifluoromethyl)phenyl]-1-[2-[(3R)-3-oxidanylpyrrolidin-1-yl]ethyl]urea Openeye Name: 1-[(1S,2R,5S)-5-(3-bromophenyl)-2-bicyclo[3.1.0]hexanyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]urea CAS Name: 1-[(1S,2R,5S)-5-(3-bromophenyl)-2-bicyclo[3.1.0]hexanyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-[(3R)-3-hydroxy-1-pyrrolidinyl]ethyl]urea IUPAC Name: 1-[(1S,2R,5S)-5-(3-bromophenyl)-2-bicyclo[3.1.0]hexanyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]urea Traditional Name: 1-[(1S,2R,5S)-5-(3-bromophenyl)-2-bicyclo[3.1.0]hexanyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-[(3R)-3-hydroxypyrrolidino]ethyl]urea Formula: C26H28BrF4N3O2 MolecularWeight: 570.417033

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CC2C1N(CCN3CCC(C3)O)C(=O)NC4=CC(=C(C=C4)F)C(F)(F)F)C5=CC(=CC=C5)Br

Isomeric SMILES

C1C[C@@]2(C[C@@H]2[C@@H]1N(CCN3CC[C@H](C3)O)C(=O)NC4=CC(=C(C=C4)F)C(F)(F)F)C5=CC(=CC=C5)Br

InChI

InChI=1S/C26H28BrF4N3O2/c27-17-3-1-2-16(12-17)25-8-6-23(21(25)14-25)34(11-10-33-9-7-19(35)15-33)24(36)32-18-4-5-22(28)20(13-18)26(29,30)31/h1-5,12-13,19,21,23,35H,6-11,14-15H2,(H,32,36)/t19-,21-,23-,25-/m1/s1