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8AJ

Summary
Name:2-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine
Synonyms:PF-02929366
Formula:C20 H19 Cl N4
Formal charge:0
Formula weight:350.845 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine
OpenEye OEToolkits2.0.62-(7-chloranyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)-~{N},~{N}-dimethyl-ethanamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c4c(Cl)cc1c(n3c(cc1c2ccccc2)nnc3CCN(C)C)c4
InChIInChI1.03InChI=1S/C20H19ClN4/c1-24(2)11-10-19-22-23-20-13-16(14-6-4-3-5-7-14)17-12-15(21)8-9-18(17)25(19)20/h3-9,12-13H,10-11H2,1-2H3
InChIKeyInChI1.03LYLASWLQCMKZAT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)CCc1nnc2cc(c3ccccc3)c4cc(Cl)ccc4n12
SMILESCACTVS3.385CN(C)CCc1nnc2cc(c3ccccc3)c4cc(Cl)ccc4n12
SMILES_CANONICALOpenEye OEToolkits2.0.6CN(C)CCc1nnc2n1c3ccc(cc3c(c2)c4ccccc4)Cl
SMILESOpenEye OEToolkits2.0.6CN(C)CCc1nnc2n1c3ccc(cc3c(c2)c4ccccc4)Cl

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건을2024-07-10부터공개중

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