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

Systemtic Name: [(2R)-3-[4-azanyl-3-chloranyl-5-(trifluoromethyl)phenyl]-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl] 2-oxidanylidenespiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate Openeye Name: [(1R)-1-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)-1-piperidyl]-2-oxo-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-chloro-5-(trifluoromethyl)phenyl]-1-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1-oxopropan-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-chloro-5-(trifluoromethyl)benzyl]-2-keto-2-[4-(4-methylpiperazino)piperidino]ethyl] ester Formula: C33H40ClF3N6O5 MolecularWeight: 693.15611

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCN(CC2)C(=O)C(CC3=CC(=C(C(=C3)Cl)N)C(F)(F)F)OC(=O)N4CCC5(CC4)C6=CC=CC=C6NC(=O)O5

Isomeric SMILES

CN1CCN(CC1)C2CCN(CC2)C(=O)[C@@H](CC3=CC(=C(C(=C3)Cl)N)C(F)(F)F)OC(=O)N4CCC5(CC4)C6=CC=CC=C6NC(=O)O5

InChI

InChI=1S/C33H40ClF3N6O5/c1-40-14-16-41(17-15-40)22-6-10-42(11-7-22)29(44)27(20-21-18-24(33(35,36)37)28(38)25(34)19-21)47-31(46)43-12-8-32(9-13-43)23-4-2-3-5-26(23)39-30(45)48-32/h2-5,18-19,22,27H,6-17,20,38H2,1H3,(H,39,45)/t27-/m1/s1