
 SCHEMBL6012808

 63 65  0  0  0  0  0  0  0  0999 V2000
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    9.0748    3.4778    1.8823 H   0  0  0  0  0
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    7.1882    1.9163    1.8101 H   0  0  0  0  0
    8.7568    2.3353   -1.7589 H   0  0  0  0  0
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    1.9366    5.0908    5.3654 H   0  0  0  0  0
    2.8395    3.6458    4.8936 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL6012808

>  <PubChem CID>
10159218

>  <Formula>
C23H35N3O2

>  <Molecular Weight>
385.552000

>  <IUPAC Name>
9-benzyl-1-butyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione

>  <XlogP>
3.700

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCN1C(=O)C(NC(=O)C12CCN(CC2)CC3=CC=CC=C3)CC(C)C

>  <Isomeric SMILES>
CCCCN1C(=O)C(NC(=O)C12CCN(CC2)CC3=CC=CC=C3)CC(C)C

>  <InChI Std. ID>
InChI=1S/C23H35N3O2/c1-4-5-13-26-21(27)20(16-18(2)3)24-22(28)23(26)11-14-25(15-12-23)17-19-9-7-6-8-10-19/h6-10,18,20H,4-5,11-17H2,1-3H3,(H,24,28)

>  <InChI Key>
APZAJCZLYILDDW-UHFFFAOYSA-N

