
 SCHEMBL2768193

 60 63  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL2768193

>  <PubChem CID>
23728695

>  <Formula>
C26H27N5O2

>  <Molecular Weight>
441.535000

>  <IUPAC Name>
6-(3-cyanophenoxy)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CN(CCN1)CC2=CC=C(C=C2)N(C)C(=O)C3=CN=C(C=C3)OC4=CC=CC(=C4)C#N

>  <Isomeric SMILES>
C[C@H]1CN(CCN1)CC2=CC=C(C=C2)N(C)C(=O)C3=CN=C(C=C3)OC4=CC=CC(=C4)C#N

>  <InChI Std. ID>
InChI=1S/C26H27N5O2/c1-19-17-31(13-12-28-19)18-20-6-9-23(10-7-20)30(2)26(32)22-8-11-25(29-16-22)33-24-5-3-4-21(14-24)15-27/h3-11,14,16,19,28H,12-13,17-18H2,1-2H3/t19-/m0/s1

>  <InChI Key>
AXQJLQNNUVSSQV-IBGZPJMESA-N

