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B7I

Summary
Name:2,2'-[heptane-1,7-diylbis(oxybenzene-4,1-diyl)]bis(1H-imidazole)
Formula:C25 H28 N4 O2
Formal charge:0
Formula weight:416.515 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012,2'-[heptane-1,7-diylbis(oxybenzene-4,1-diyl)]bis(1H-imidazole)
OpenEye OEToolkits1.9.22-[4-[7-[4-(1H-imidazol-2-yl)phenoxy]heptoxy]phenyl]-1H-imidazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cc(ccc1c2nccn2)OCCCCCCCOc3ccc(cc3)c4nccn4
InChIInChI1.03InChI=1S/C25H28N4O2/c1(2-4-18-30-22-10-6-20(7-11-22)24-26-14-15-27-24)3-5-19-31-23-12-8-21(9-13-23)25-28-16-17-29-25/h6-17H,1-5,18-19H2,(H,26,27)(H,28,29)
InChIKeyInChI1.03LGLZBONOWHSGOF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C(CCCOc1ccc(cc1)c2[nH]ccn2)CCCOc3ccc(cc3)c4[nH]ccn4
SMILESCACTVS3.385C(CCCOc1ccc(cc1)c2[nH]ccn2)CCCOc3ccc(cc3)c4[nH]ccn4
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc(ccc1c2[nH]ccn2)OCCCCCCCOc3ccc(cc3)c4[nH]ccn4
SMILESOpenEye OEToolkits1.9.2c1cc(ccc1c2[nH]ccn2)OCCCCCCCOc3ccc(cc3)c4[nH]ccn4

220113

PDB entries from 2024-05-22

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