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G9X

Summary
Name:(6R)-6-[(6-chloranyl-1H-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
Formula:C20 H18 Cl N O
Formal charge:0
Formula weight:323.816 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(6~{R})-6-[(6-chloranyl-1~{H}-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H18ClNO/c21-16-8-9-17-15(12-22-19(17)11-16)10-14-6-3-5-13-4-1-2-7-18(13)20(14)23/h1-2,4,7-9,11-12,14,22H,3,5-6,10H2/t14-/m1/s1
InChIKeyInChI1.03GVUXLVCNOFJITN-CQSZACIVSA-N
SMILES_CANONICALCACTVS3.385Clc1ccc2c(C[C@H]3CCCc4ccccc4C3=O)c[nH]c2c1
SMILESCACTVS3.385Clc1ccc2c(C[CH]3CCCc4ccccc4C3=O)c[nH]c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)CCC[C@@H](C2=O)Cc3c[nH]c4c3ccc(c4)Cl
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)CCCC(C2=O)Cc3c[nH]c4c3ccc(c4)Cl

227344

건을2024-11-13부터공개중

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