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A1L6W

Summary
Name:(~{E})-~{N}-[2-oxidanylidene-2-(3-oxidanylidenepiperazin-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C16 H16 F3 N3 O3
Formal charge:0
Formula weight:355.312 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(~{E})-~{N}-[2-oxidanylidene-2-(3-oxidanylidenepiperazin-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C16H16F3N3O3/c17-16(18,19)12-4-1-11(2-5-12)3-6-13(23)21-9-15(25)22-8-7-20-14(24)10-22/h1-6H,7-10H2,(H,20,24)(H,21,23)/b6-3+
InChIKeyInChI1.06SQCPJGHMDVTIRR-ZZXKWVIFSA-N
SMILES_CANONICALCACTVS3.385FC(F)(F)c1ccc(/C=C/C(=O)NCC(=O)N2CCNC(=O)C2)cc1
SMILESCACTVS3.385FC(F)(F)c1ccc(C=CC(=O)NCC(=O)N2CCNC(=O)C2)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1/C=C/C(=O)NCC(=O)N2CCNC(=O)C2)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1C=CC(=O)NCC(=O)N2CCNC(=O)C2)C(F)(F)F

247536

PDB entries from 2026-01-14

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