tert-butyl 4-[2-[[(1S,2R,5S)-5-(3-cyanophenyl)-2-bicyclo[3.1.0]hexanyl]-[[4-fluoranyl-3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[[(1S,2R,5S)-5-(3-cyanophenyl)-2-bicyclo[3.1.0]hexanyl]-[[4-fluoranyl-3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[[(1S,2R,5S)-5-(3-cyanophenyl)-2-bicyclo[3.1.0]hexanyl]-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[[(1S,2R,5S)-5-(3-cyanophenyl)-2-bicyclo[3.1.0]hexanyl]-[[4-fluoro-3-(trifluoromethyl)anilino]-oxomethyl]amino]ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[[(1S,2R,5S)-5-(3-cyanophenyl)-2-bicyclo[3.1.0]hexanyl]-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[(1S,2R,5S)-5-(3-cyanophenyl)-2-bicyclo[3.1.0]hexanyl]-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C32H37F4N5O3 MolecularWeight: 615.661493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCN(C2CCC3(C2C3)C4=CC=CC(=C4)C#N)C(=O)NC5=CC(=C(C=C5)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCN([C@@H]2CC[C@]3([C@@H]2C3)C4=CC=CC(=C4)C#N)C(=O)NC5=CC(=C(C=C5)F)C(F)(F)F

InChI

InChI=1S/C32H37F4N5O3/c1-30(2,3)44-29(43)40-14-11-39(12-15-40)13-16-41(28(42)38-23-7-8-26(33)24(18-23)32(34,35)36)27-9-10-31(19-25(27)31)22-6-4-5-21(17-22)20-37/h4-8,17-18,25,27H,9-16,19H2,1-3H3,(H,38,42)/t25-,27-,31-/m1/s1