3-[[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanyl-ethyl]amino]-4-(4-methyl-6-morpholin-4-yl-1H-benzimidazol-2-yl)-1,2-dihydropyrrol-5-one

Systemtic Name: 3-[[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanyl-ethyl]amino]-4-(4-methyl-6-morpholin-4-yl-1H-benzimidazol-2-yl)-1,2-dihydropyrrol-5-one Openeye Name: 3-[[2-(3-bromo-4-methoxy-phenyl)-2-hydroxy-ethyl]amino]-4-(4-methyl-6-morpholino-1H-benzimidazol-2-yl)-1,2-dihydropyrrol-5-one CAS Name: 3-[[2-(3-bromo-4-methoxyphenyl)-2-hydroxyethyl]amino]-4-[4-methyl-6-(4-morpholinyl)-1H-benzimidazol-2-yl]-1,2-dihydropyrrol-5-one IUPAC Name: 3-[[2-(3-bromo-4-methoxyphenyl)-2-hydroxyethyl]amino]-4-(4-methyl-6-morpholin-4-yl-1H-benzimidazol-2-yl)-1,2-dihydropyrrol-5-one Traditional Name: 4-[[2-(3-bromo-4-methoxy-phenyl)-2-hydroxy-ethyl]amino]-3-(4-methyl-6-morpholino-1H-benzimidazol-2-yl)-3-pyrrolin-2-one Formula: C25H28BrN5O4 MolecularWeight: 542.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(N2)C3=C(CNC3=O)NCC(C4=CC(=C(C=C4)OC)Br)O)N5CCOCC5

Isomeric SMILES

CC1=CC(=CC2=C1N=C(N2)C3=C(CNC3=O)NCC(C4=CC(=C(C=C4)OC)Br)O)N5CCOCC5

InChI

InChI=1S/C25H28BrN5O4/c1-14-9-16(31-5-7-35-8-6-31)11-18-23(14)30-24(29-18)22-19(12-28-25(22)33)27-13-20(32)15-3-4-21(34-2)17(26)10-15/h3-4,9-11,20,27,32H,5-8,12-13H2,1-2H3,(H,28,33)(H,29,30)