
 SCHEMBL2341479

 58 61  0  0  0  0  0  0  0  0999 V2000
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    2.0780   -2.5044   -1.4339 H   0  0  0  0  0
    4.5038   -2.3582   -0.8969 H   0  0  0  0  0
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  1  2  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL2341479

>  <PubChem CID>
46199304

>  <Formula>
C24H27FN4O2

>  <Molecular Weight>
422.504000

>  <IUPAC Name>
[6-[(4-fluoro-3-methylphenoxy)methyl]-2-methylazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CCCC(CN1C(=O)C2=CC=CC=C2N3N=CC=N3)COC4=CC(=C(C=C4)F)C

>  <Isomeric SMILES>
CC1CCCC(CN1C(=O)C2=CC=CC=C2N3N=CC=N3)COC4=CC(=C(C=C4)F)C

>  <InChI Std. ID>
InChI=1S/C24H27FN4O2/c1-17-14-20(10-11-22(17)25)31-16-19-7-5-6-18(2)28(15-19)24(30)21-8-3-4-9-23(21)29-26-12-13-27-29/h3-4,8-14,18-19H,5-7,15-16H2,1-2H3

>  <InChI Key>
CFMVZRSEANQYHW-UHFFFAOYSA-N

