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XZV

Summary
Name:4-(5-chlorofuran-2-carbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide
Formula:C14 H18 Cl N3 O3
Formal charge:0
Formula weight:311.764 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(5-chlorofuran-2-carbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide
OpenEye OEToolkits2.0.74-(5-chloranylfuran-2-yl)carbonyl-~{N}-(cyclopropylmethyl)piperazine-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N2(CCN(C(c1ccc(Cl)o1)=O)CC2)C(NCC3CC3)=O
InChIInChI1.03InChI=1S/C14H18ClN3O3/c15-12-4-3-11(21-12)13(19)17-5-7-18(8-6-17)14(20)16-9-10-1-2-10/h3-4,10H,1-2,5-9H2,(H,16,20)
InChIKeyInChI1.03CPSUTTLDJVOMOK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3
SMILESCACTVS3.385Clc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(oc1C(=O)N2CCN(CC2)C(=O)NCC3CC3)Cl
SMILESOpenEye OEToolkits2.0.7c1cc(oc1C(=O)N2CCN(CC2)C(=O)NCC3CC3)Cl

225158

PDB entries from 2024-09-18

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