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VIN

Summary
Name:12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one
Formula:C27 H24 N2 O3
Formal charge:0
Formula weight:424.491 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.0412-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C6N=Cc5c6c2c1c(cc(OC(C)C)cc1)CCc2c4c5c3ccccc3n4CCO
SMILES_CANONICALCACTVS3.341CC(C)Oc1ccc2c(CCc3c4n(CCO)c5ccccc5c4c6C=NC(=O)c6c23)c1
SMILESCACTVS3.341CC(C)Oc1ccc2c(CCc3c4n(CCO)c5ccccc5c4c6C=NC(=O)c6c23)c1
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)Oc1ccc-2c(c1)CCc3c2c4c(c5c3n(c6c5cccc6)CCO)C=NC4=O
SMILESOpenEye OEToolkits1.5.0CC(C)Oc1ccc-2c(c1)CCc3c2c4c(c5c3n(c6c5cccc6)CCO)C=NC4=O
InChIInChI1.03InChI=1S/C27H24N2O3/c1-15(2)32-17-8-10-18-16(13-17)7-9-20-23(18)25-21(14-28-27(25)31)24-19-5-3-4-6-22(19)29(11-12-30)26(20)24/h3-6,8,10,13-15,30H,7,9,11-12H2,1-2H3
InChIKeyInChI1.03FGKKIHITEICGMN-UHFFFAOYSA-N

222624

數據於2024-07-17公開中

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