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3QC

Summary
Name:(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE
Formula:C20 H24 N2 O2
Formal charge:0
Formula weight:324.417 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(4R)-4-(3-hydroxyphenyl)-N,N,7,8-tetramethyl-3,4-dihydroisoquinoline-2(1H)-carboxamide
OpenEye OEToolkits1.5.0(4R)-4-(3-hydroxyphenyl)-N,N,7,8-tetramethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N(C)C)N3Cc1c(ccc(c1C)C)C(c2cccc(O)c2)C3
SMILES_CANONICALCACTVS3.341CN(C)C(=O)N1C[C@H](c2cccc(O)c2)c3ccc(C)c(C)c3C1
SMILESCACTVS3.341CN(C)C(=O)N1C[CH](c2cccc(O)c2)c3ccc(C)c(C)c3C1
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1ccc2c(c1C)CN(C[C@@H]2c3cccc(c3)O)C(=O)N(C)C
SMILESOpenEye OEToolkits1.5.0Cc1ccc2c(c1C)CN(CC2c3cccc(c3)O)C(=O)N(C)C
InChIInChI1.03InChI=1S/C20H24N2O2/c1-13-8-9-17-18(14(13)2)11-22(20(24)21(3)4)12-19(17)15-6-5-7-16(23)10-15/h5-10,19,23H,11-12H2,1-4H3/t19-/m1/s1
InChIKeyInChI1.03HPVCRUIDFODATB-LJQANCHMSA-N

222415

건을2024-07-10부터공개중

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