[(2R)-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-(4-cyclohexylpiperazin-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-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-(4-cyclohexylpiperazin-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)-2-(4-cyclohexylpiperazin-1-yl)-1-[(3,5-dibromo-4-hydroxy-phenyl)methyl]-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)-1-(4-cyclohexyl-1-piperazinyl)-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyclohexylpiperazin-1-yl)-3-(3,5-dibromo-4-hydroxyphenyl)-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)-2-(4-cyclohexylpiperazino)-1-(3,5-dibromo-4-hydroxy-benzyl)-2-keto-ethyl] ester Formula: C34H43Br2N5O5 MolecularWeight: 761.54372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)C(CC3=CC(=C(C(=C3)Br)O)Br)OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)[C@@H](CC3=CC(=C(C(=C3)Br)O)Br)OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

InChI

InChI=1S/C34H43Br2N5O5/c35-27-20-23(21-28(36)31(27)42)22-30(32(43)39-18-16-38(17-19-39)25-7-2-1-3-8-25)46-34(45)40-13-11-26(12-14-40)41-15-10-24-6-4-5-9-29(24)37-33(41)44/h4-6,9,20-21,25-26,30,42H,1-3,7-8,10-19,22H2,(H,37,44)/t30-/m1/s1