[(2R)-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-[4-[1-(2-ethoxy-2-oxidanylidene-ethyl)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-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-[4-[1-(2-ethoxy-2-oxidanylidene-ethyl)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-[(3,5-dibromo-4-hydroxy-phenyl)methyl]-2-[4-[1-(2-ethoxy-2-oxo-ethyl)-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-(3,5-dibromo-4-hydroxyphenyl)-1-[4-[1-(2-ethoxy-2-oxoethyl)-4-piperidinyl]-1-piperazinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-[4-[1-(2-ethoxy-2-oxoethyl)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-(3,5-dibromo-4-hydroxy-benzyl)-2-[4-[1-(2-ethoxy-2-keto-ethyl)-4-piperidyl]piperazino]-2-keto-ethyl] ester Formula: C37H48Br2N6O7 MolecularWeight: 848.62102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCC(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

CCOC(=O)CN1CCC(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/C37H48Br2N6O7/c1-2-51-33(46)24-41-12-8-27(9-13-41)42-17-19-43(20-18-42)35(48)32(23-25-21-29(38)34(47)30(39)22-25)52-37(50)44-14-10-28(11-15-44)45-16-7-26-5-3-4-6-31(26)40-36(45)49/h3-6,21-22,27-28,32,47H,2,7-20,23-24H2,1H3,(H,40,49)/t32-/m1/s1