
 MLS000713029

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M  END

>  <Chemical Name>
MLS000713029

>  <PubChem CID>
929419

>  <Formula>
C18H23N3O3

>  <Molecular Weight>
329.400000

>  <IUPAC Name>
(Z)-2-cyano-N-cyclohexyl-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC(CC1)NC(=O)C(=CC2=CC=C(O2)N3CCOCC3)C#N

>  <Isomeric SMILES>
C1CCC(CC1)NC(=O)/C(=C\C2=CC=C(O2)N3CCOCC3)/C#N

>  <InChI Std. ID>
InChI=1S/C18H23N3O3/c19-13-14(18(22)20-15-4-2-1-3-5-15)12-16-6-7-17(24-16)21-8-10-23-11-9-21/h6-7,12,15H,1-5,8-11H2,(H,20,22)/b14-12-

>  <InChI Key>
APSOMBILXZWHQR-OWBHPGMISA-N

