
 MLS000418558

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M  END

>  <Chemical Name>
MLS000418558

>  <PubChem CID>
9662775

>  <Formula>
C28H35N5O3

>  <Molecular Weight>
489.620000

>  <IUPAC Name>
N-[(E)-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCN(CC)C1=CC=C(C=C1)C=C2CCC(=C2N3CCOCC3)C=NNC(=O)C4=CN(C(=O)C=C4)C

>  <Isomeric SMILES>
CCN(CC)C1=CC=C(C=C1)/C=C/2\CCC(=C2N3CCOCC3)/C=N/NC(=O)C4=CN(C(=O)C=C4)C

>  <InChI Std. ID>
InChI=1S/C28H35N5O3/c1-4-32(5-2)25-11-6-21(7-12-25)18-22-8-9-23(27(22)33-14-16-36-17-15-33)19-29-30-28(35)24-10-13-26(34)31(3)20-24/h6-7,10-13,18-20H,4-5,8-9,14-17H2,1-3H3,(H,30,35)/b22-18+,29-19+

>  <InChI Key>
KMLXHMAYCCRLRY-UKCKPQGZSA-N

