[(2R)-3-[4-azanyl-3,5-bis(trifluoromethyl)phenyl]-1-oxidanylidene-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxidanylidenespiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate

Systemtic Name: [(2R)-3-[4-azanyl-3,5-bis(trifluoromethyl)phenyl]-1-oxidanylidene-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxidanylidenespiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate Openeye Name: [(1R)-1-[[4-amino-3,5-bis(trifluoromethyl)phenyl]methyl]-2-oxo-2-[4-(4-pyridyl)piperazin-1-yl]ethyl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate CAS Name: 2-oxo-1'-spiro[1H-3,1-benzoxazine-4,4'-piperidine]carboxylic acid [(2R)-3-[4-amino-3,5-bis(trifluoromethyl)phenyl]-1-oxo-1-(4-pyridin-4-yl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [(2R)-3-[4-amino-3,5-bis(trifluoromethyl)phenyl]-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate Traditional Name: 2-ketospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylic acid [(1R)-1-[4-amino-3,5-bis(trifluoromethyl)benzyl]-2-keto-2-[4-(4-pyridyl)piperazino]ethyl] ester Formula: C33H32F6N6O5 MolecularWeight: 706.634799

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12C3=CC=CC=C3NC(=O)O2)C(=O)OC(CC4=CC(=C(C(=C4)C(F)(F)F)N)C(F)(F)F)C(=O)N5CCN(CC5)C6=CC=NC=C6

Isomeric SMILES

C1CN(CCC12C3=CC=CC=C3NC(=O)O2)C(=O)O[C@H](CC4=CC(=C(C(=C4)C(F)(F)F)N)C(F)(F)F)C(=O)N5CCN(CC5)C6=CC=NC=C6

InChI

InChI=1S/C33H32F6N6O5/c34-32(35,36)23-17-20(18-24(27(23)40)33(37,38)39)19-26(28(46)44-15-13-43(14-16-44)21-5-9-41-10-6-21)49-30(48)45-11-7-31(8-12-45)22-3-1-2-4-25(22)42-29(47)50-31/h1-6,9-10,17-18,26H,7-8,11-16,19,40H2,(H,42,47)/t26-/m1/s1