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1JU

Summary
Name:1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole
Formula:C19 H18 N2 O2
Formal charge:0
Formula weight:306.358 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole
OpenEye OEToolkits1.7.63-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydrobenzo[f]benzimidazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O1c2ccc(cc2OC1)Cn3c4cc5c(cc4nc3)CCCC5
InChIInChI1.03InChI=1S/C19H18N2O2/c1-2-4-15-9-17-16(8-14(15)3-1)20-11-21(17)10-13-5-6-18-19(7-13)23-12-22-18/h5-9,11H,1-4,10,12H2
InChIKeyInChI1.03GFWJMMLPXBFICR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370C1CCc2cc3n(Cc4ccc5OCOc5c4)cnc3cc2C1
SMILESCACTVS3.370C1CCc2cc3n(Cc4ccc5OCOc5c4)cnc3cc2C1
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc2c(cc1Cn3cnc4c3cc5c(c4)CCCC5)OCO2
SMILESOpenEye OEToolkits1.7.6c1cc2c(cc1Cn3cnc4c3cc5c(c4)CCCC5)OCO2

223532

PDB entries from 2024-08-07

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