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8DQ

Summary
Name:8-phenyl-2-piperazin-1-yl-chromen-4-one
Formula:C19 H18 N2 O2
Formal charge:0
Formula weight:306.358 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.018-phenyl-2-(piperazin-1-yl)-4H-chromen-4-one
OpenEye OEToolkits1.9.28-phenyl-2-piperazin-1-yl-chromen-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1c3c(OC(=C1)N2CCNCC2)c(ccc3)c4ccccc4
InChIInChI1.03InChI=1S/C19H18N2O2/c22-17-13-18(21-11-9-20-10-12-21)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13,20H,9-12H2
InChIKeyInChI1.03NGAGMBNBKCDCDJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCNCC4
SMILESCACTVS3.385O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCNCC4
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCNCC4
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCNCC4

223532

数据于2024-08-07公开中

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