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5XI

Summary
Name:methyl 4-[4-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
Formula:C20 H28 N4 O3
Formal charge:0
Formula weight:372.461 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7methyl 4-[4-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H28N4O3/c1-21-17-5-3-4-6-18(17)24(19(21)25)16-9-11-22(12-10-16)15-7-13-23(14-8-15)20(26)27-2/h3-6,15-16H,7-14H2,1-2H3
InChIKeyInChI1.03LFVHMTNJDWYMGD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COC(=O)N1CCC(CC1)N2CCC(CC2)N3C(=O)N(C)c4ccccc34
SMILESCACTVS3.385COC(=O)N1CCC(CC1)N2CCC(CC2)N3C(=O)N(C)c4ccccc34
SMILES_CANONICALOpenEye OEToolkits2.0.7CN1c2ccccc2N(C1=O)C3CCN(CC3)C4CCN(CC4)C(=O)OC
SMILESOpenEye OEToolkits2.0.7CN1c2ccccc2N(C1=O)C3CCN(CC3)C4CCN(CC4)C(=O)OC

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건을2024-07-10부터공개중

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