[(2R)-3-(3-bromanyl-4-oxidanyl-phenyl)-1-[4-[1-(2-hydroxyethyl)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-(3-bromanyl-4-oxidanyl-phenyl)-1-[4-[1-(2-hydroxyethyl)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-[(3-bromo-4-hydroxy-phenyl)methyl]-2-[4-[1-(2-hydroxyethyl)-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-(3-bromo-4-hydroxyphenyl)-1-[4-[1-(2-hydroxyethyl)-4-piperidinyl]-1-piperidinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-3-(3-bromo-4-hydroxyphenyl)-1-[4-[1-(2-hydroxyethyl)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-(3-bromo-4-hydroxy-benzyl)-2-[4-[1-(2-hydroxyethyl)-4-piperidyl]piperidino]-2-keto-ethyl] ester Formula: C36H48BrN5O6 MolecularWeight: 726.70022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2CCN(CC2)C(=O)C(CC3=CC(=C(C=C3)O)Br)OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O)CCO

Isomeric SMILES

C1CN(CCC1C2CCN(CC2)C(=O)[C@@H](CC3=CC(=C(C=C3)O)Br)OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O)CCO

InChI

InChI=1S/C36H48BrN5O6/c37-30-23-25(5-6-32(30)44)24-33(34(45)40-16-9-27(10-17-40)26-7-14-39(15-8-26)21-22-43)48-36(47)41-18-12-29(13-19-41)42-20-11-28-3-1-2-4-31(28)38-35(42)46/h1-6,23,26-27,29,33,43-44H,7-22,24H2,(H,38,46)/t33-/m1/s1