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1JN

Summary
Name:1-(4-methoxy-3-methylbenzyl)-1,5,6,7-tetrahydroindeno[5,6-d]imidazole
Formula:C19 H20 N2 O
Formal charge:0
Formula weight:292.375 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(4-methoxy-3-methylbenzyl)-1,5,6,7-tetrahydroindeno[5,6-d]imidazole
OpenEye OEToolkits1.7.61-[(4-methoxy-3-methyl-phenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n3c1c(cc2c(c1)CCC2)n(c3)Cc4ccc(OC)c(c4)C
InChIInChI1.03InChI=1S/C19H20N2O/c1-13-8-14(6-7-19(13)22-2)11-21-12-20-17-9-15-4-3-5-16(15)10-18(17)21/h6-10,12H,3-5,11H2,1-2H3
InChIKeyInChI1.03RDNGFVHIBLMLSY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370COc1ccc(Cn2cnc3cc4CCCc4cc23)cc1C
SMILESCACTVS3.370COc1ccc(Cn2cnc3cc4CCCc4cc23)cc1C
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1cc(ccc1OC)Cn2cnc3c2cc4c(c3)CCC4
SMILESOpenEye OEToolkits1.7.6Cc1cc(ccc1OC)Cn2cnc3c2cc4c(c3)CCC4

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건을2024-10-09부터공개중

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