[(2R)-3-[4-azanyl-3-chloranyl-5-(trifluoromethyl)phenyl]-1-[4-[1-(2-methoxy-2-oxidanylidene-ethyl)piperidin-4-yl]piperidin-1-yl]-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

Systemtic Name: [(2R)-3-[4-azanyl-3-chloranyl-5-(trifluoromethyl)phenyl]-1-[4-[1-(2-methoxy-2-oxidanylidene-ethyl)piperidin-4-yl]piperidin-1-yl]-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate Openeye Name: [(1R)-1-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-[4-[1-(2-methoxy-2-oxo-ethyl)-4-piperidyl]-1-piperidyl]-2-oxo-ethyl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate CAS Name: 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidinecarboxylic acid [(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-[1-(2-methoxy-2-oxoethyl)-4-piperidinyl]-1-piperidinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate Traditional Name: 4-(2-keto-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylic acid [(1R)-1-[4-amino-3-chloro-5-(trifluoromethyl)benzyl]-2-keto-2-[4-[1-(2-keto-2-methoxy-ethyl)-4-piperidyl]piperidino]ethyl] ester Formula: C38H48ClF3N6O6 MolecularWeight: 777.27253

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CCC(CC1)C2CCN(CC2)C(=O)C(CC3=CC(=C(C(=C3)Cl)N)C(F)(F)F)OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

Isomeric SMILES

COC(=O)CN1CCC(CC1)C2CCN(CC2)C(=O)[C@@H](CC3=CC(=C(C(=C3)Cl)N)C(F)(F)F)OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

InChI

InChI=1S/C38H48ClF3N6O6/c1-53-33(49)23-45-13-6-25(7-14-45)26-8-15-46(16-9-26)35(50)32(22-24-20-29(38(40,41)42)34(43)30(39)21-24)54-37(52)47-17-11-28(12-18-47)48-19-10-27-4-2-3-5-31(27)44-36(48)51/h2-5,20-21,25-26,28,32H,6-19,22-23,43H2,1H3,(H,44,51)/t32-/m1/s1