[(2R)-3-[4-azanyl-3-chloranyl-5-(trifluoromethyl)phenyl]-1-[4-(4-methyloxan-4-yl)piperazin-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-(4-methyloxan-4-yl)piperazin-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-(4-methyltetrahydropyran-4-yl)piperazin-1-yl]-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-(4-methyl-4-oxanyl)-1-piperazinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-(4-methyloxan-4-yl)piperazin-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-(4-methyltetrahydropyran-4-yl)piperazino]ethyl] ester Formula: C35H44ClF3N6O5 MolecularWeight: 721.20927

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCOCC1)N2CCN(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

CC1(CCOCC1)N2CCN(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/C35H44ClF3N6O5/c1-34(9-18-49-19-10-34)44-16-14-42(15-17-44)31(46)29(22-23-20-26(35(37,38)39)30(40)27(36)21-23)50-33(48)43-11-7-25(8-12-43)45-13-6-24-4-2-3-5-28(24)41-32(45)47/h2-5,20-21,25,29H,6-19,22,40H2,1H3,(H,41,47)/t29-/m1/s1