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HK1

Summary
Name:4-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenol
Formula:C18 H16 N2 O3
Formal charge:0
Formula weight:308.331 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenol
OpenEye OEToolkits1.7.64-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc1ccc(cc1)c2c4c(nn2)c3cc(OC)c(OC)cc3C4
InChIInChI1.03InChI=1S/C18H16N2O3/c1-22-15-8-11-7-14-17(10-3-5-12(21)6-4-10)19-20-18(14)13(11)9-16(15)23-2/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)
InChIKeyInChI1.03YXCSLEHSWRLDHG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370COc1cc2Cc3c([nH]nc3c2cc1OC)c4ccc(O)cc4
SMILESCACTVS3.370COc1cc2Cc3c([nH]nc3c2cc1OC)c4ccc(O)cc4
SMILES_CANONICALOpenEye OEToolkits1.7.6COc1cc2c(cc1OC)-c3c(c([nH]n3)c4ccc(cc4)O)C2
SMILESOpenEye OEToolkits1.7.6COc1cc2c(cc1OC)-c3c(c([nH]n3)c4ccc(cc4)O)C2

227344

数据于2024-11-13公开中

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