
 SCHEMBL2881638

 66 69  0  0  0  0  0  0  0  0999 V2000
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    8.7512    3.9524    1.7491 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL2881638

>  <PubChem CID>
49852003

>  <Formula>
C27H34N4O

>  <Molecular Weight>
430.596000

>  <IUPAC Name>
2,2-dimethyl-N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]propanamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NC2=C(C=C1)C(=CC=C2)N3CCN(CC3)CCC4=CC(=CC=C4)NC(=O)C(C)(C)C

>  <Isomeric SMILES>
CC1=NC2=C(C=C1)C(=CC=C2)N3CCN(CC3)CCC4=CC(=CC=C4)NC(=O)C(C)(C)C

>  <InChI Std. ID>
InChI=1S/C27H34N4O/c1-20-11-12-23-24(28-20)9-6-10-25(23)31-17-15-30(16-18-31)14-13-21-7-5-8-22(19-21)29-26(32)27(2,3)4/h5-12,19H,13-18H2,1-4H3,(H,29,32)

>  <InChI Key>
AZUIXALAIAVCPH-UHFFFAOYSA-N

