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QK8

Summary
Name:ethyl (4~{S})-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]azepane-1-carboxylate
Formula:C20 H35 N3 O3
Formal charge:0
Formula weight:365.51 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7ethyl (4~{S})-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]azepane-1-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H35N3O3/c1-3-26-19(25)23-12-4-6-17(9-15-23)22-13-7-16(8-14-22)18(24)21-20(2)10-5-11-20/h16-17H,3-15H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyInChI1.03AQEAWDQQWHVFAX-KRWDZBQOSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)N1CCC[C@@H](CC1)N2CCC(CC2)C(=O)NC3(C)CCC3
SMILESCACTVS3.385CCOC(=O)N1CCC[CH](CC1)N2CCC(CC2)C(=O)NC3(C)CCC3
SMILES_CANONICALOpenEye OEToolkits2.0.7CCOC(=O)N1CCC[C@@H](CC1)N2CCC(CC2)C(=O)NC3(CCC3)C
SMILESOpenEye OEToolkits2.0.7CCOC(=O)N1CCCC(CC1)N2CCC(CC2)C(=O)NC3(CCC3)C

222415

数据于2024-07-10公开中

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