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298

Summary
Name:N-[(1E,2Z)-but-2-en-1-ylidene]-N'-[(2E)-but-2-en-1-ylidene]butane-1,4-diamine
Formula:C12 H20 N2
Formal charge:0
Formula weight:192.301 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-[(1E,2Z)-but-2-en-1-ylidene]-N'-[(1Z,2E)-but-2-en-1-ylidene]butane-1,4-diamine
OpenEye OEToolkits1.5.0(Z)-N-[4-[[(E)-but-2-enylidene]amino]butyl]but-2-en-1-imine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04N(=C\C=C\C)\CCCC/N=C/C=C\C
SMILES_CANONICALCACTVS3.341C\C=C\C=NCCCCN=C\C=C/C
SMILESCACTVS3.341CC=CC=NCCCCN=CC=CC
SMILES_CANONICALOpenEye OEToolkits1.5.0C\C=C\C=NCCCC/N=C/C=C\C
SMILESOpenEye OEToolkits1.5.0CC=CC=NCCCCN=CC=CC
InChIInChI1.03InChI=1S/C12H20N2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h3-6,9-10H,7-8,11-12H2,1-2H3/b5-3-,6-4+,13-9+,14-10?
InChIKeyInChI1.03GWPFNFBITHRYML-AQVGAVBMSA-N

223532

PDB entries from 2024-08-07

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