[(2R)-3-[3-chloranyl-4-(methylamino)-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-[3-chloranyl-4-(methylamino)-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-[[3-chloro-4-(methylamino)-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-[3-chloro-4-(methylamino)-5-(trifluoromethyl)phenyl]-1-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-3-[3-chloro-4-(methylamino)-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-[3-chloro-4-(methylamino)-5-(trifluoromethyl)benzyl]-2-keto-2-[4-(4-methylpiperazino)piperidino]ethyl] ester Formula: C34H42ClF3N6O5 MolecularWeight: 707.18269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1Cl)CC(C(=O)N2CCC(CC2)N3CCN(CC3)C)OC(=O)N4CCC5(CC4)C6=CC=CC=C6NC(=O)O5)C(F)(F)F

Isomeric SMILES

CNC1=C(C=C(C=C1Cl)C[C@H](C(=O)N2CCC(CC2)N3CCN(CC3)C)OC(=O)N4CCC5(CC4)C6=CC=CC=C6NC(=O)O5)C(F)(F)F

InChI

InChI=1S/C34H42ClF3N6O5/c1-39-29-25(34(36,37)38)19-22(20-26(29)35)21-28(30(45)43-11-7-23(8-12-43)42-17-15-41(2)16-18-42)48-32(47)44-13-9-33(10-14-44)24-5-3-4-6-27(24)40-31(46)49-33/h3-6,19-20,23,28,39H,7-18,21H2,1-2H3,(H,40,46)/t28-/m1/s1