[2-(2-methoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-8-yl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [2-(2-methoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-8-yl]methyl-triphenyl-phosphanium bromide Openeye Name: [2-(2-methoxy-2-oxo-ethyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-8-yl]methyl-triphenyl-phosphonium bromide CAS Name: [2-(2-methoxy-2-oxoethyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-8-yl]methyl-triphenylphosphonium bromide IUPAC Name: [2-(2-methoxy-2-oxoethyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-8-yl]methyl-triphenylphosphanium bromide Traditional Name: [3-keto-2-(2-keto-2-methoxy-ethyl)-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-8-yl]methyl-triphenyl-phosphonium bromide Formula: C39H38BrN2O3P MolecularWeight: 693.608381

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)N(CC2=C(N1)C=C(C=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CCC6=CC=CC=C6.[Br-]

Isomeric SMILES

COC(=O)CC1C(=O)N(CC2=C(N1)C=C(C=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CCC6=CC=CC=C6.[Br-]

InChI

InChI=1S/C39H38N2O3P.BrH/c1-44-38(42)27-37-39(43)41(25-24-30-14-6-2-7-15-30)28-32-23-22-31(26-36(32)40-37)29-45(33-16-8-3-9-17-33,34-18-10-4-11-19-34)35-20-12-5-13-21-35;/h2-23,26,37,40H,24-25,27-29H2,1H3;1H/q+1;/p-1