[(2R)-3-(3-bromanyl-4-oxidanyl-phenyl)-1-[4-[1-(2-hydroxyethyl)piperidin-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-(3-bromanyl-4-oxidanyl-phenyl)-1-[4-[1-(2-hydroxyethyl)piperidin-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-[(3-bromo-4-hydroxy-phenyl)methyl]-2-[4-[1-(2-hydroxyethyl)-4-piperidyl]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-(3-bromo-4-hydroxyphenyl)-1-[4-[1-(2-hydroxyethyl)-4-piperidinyl]-1-piperazinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-3-(3-bromo-4-hydroxyphenyl)-1-[4-[1-(2-hydroxyethyl)piperidin-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-(3-bromo-4-hydroxy-benzyl)-2-[4-[1-(2-hydroxyethyl)-4-piperidyl]piperazino]-2-keto-ethyl] ester Formula: C35H47BrN6O6 MolecularWeight: 727.68828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C(=O)C(CC3=CC(=C(C=C3)O)Br)OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O)CCO

Isomeric SMILES

C1CN(CCC1N2CCN(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/C35H47BrN6O6/c36-29-23-25(5-6-31(29)44)24-32(33(45)40-19-17-39(18-20-40)27-8-12-38(13-9-27)21-22-43)48-35(47)41-14-10-28(11-15-41)42-16-7-26-3-1-2-4-30(26)37-34(42)46/h1-6,23,27-28,32,43-44H,7-22,24H2,(H,37,46)/t32-/m1/s1