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ZMN

Summary
Name:4-(5-bromofuran-2-carbonyl)-N-[3-(3-methylphenoxy)propyl]piperazine-1-carboxamide
Formula:C20 H24 Br N3 O4
Formal charge:0
Formula weight:450.326 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(5-bromofuran-2-carbonyl)-N-[3-(3-methylphenoxy)propyl]piperazine-1-carboxamide
OpenEye OEToolkits2.0.74-(5-bromanylfuran-2-yl)carbonyl-~{N}-[3-(3-methylphenoxy)propyl]piperazine-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N1CCN(CC1)C(=O)NCCCOc1cc(C)ccc1)c1ccc(Br)o1
InChIInChI1.06InChI=1S/C20H24BrN3O4/c1-15-4-2-5-16(14-15)27-13-3-8-22-20(26)24-11-9-23(10-12-24)19(25)17-6-7-18(21)28-17/h2,4-7,14H,3,8-13H2,1H3,(H,22,26)
InChIKeyInChI1.06SCRILDURHLVTAB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cccc(OCCCNC(=O)N2CCN(CC2)C(=O)c3oc(Br)cc3)c1
SMILESCACTVS3.385Cc1cccc(OCCCNC(=O)N2CCN(CC2)C(=O)c3oc(Br)cc3)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cccc(c1)OCCCNC(=O)N2CCN(CC2)C(=O)c3ccc(o3)Br
SMILESOpenEye OEToolkits2.0.7Cc1cccc(c1)OCCCNC(=O)N2CCN(CC2)C(=O)c3ccc(o3)Br

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PDB entries from 2024-07-10

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