
 CHEMBL193266

 62 64  0  0  0  0  0  0  0  0999 V2000
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  4  5  2  0  0  0
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  8 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL193266

>  <PubChem CID>
44399398

>  <Formula>
C24H32ClN3O2

>  <Molecular Weight>
429.989000

>  <IUPAC Name>
4-chloro-N-[(3S)-1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]pyrrolidin-3-yl]-3-methylbenzamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C=CC(=C1)C(=O)NC2CCN(C2)CC3=CC=C(C=C3)OCCCN(C)C)Cl

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)C(=O)N[C@H]2CCN(C2)CC3=CC=C(C=C3)OCCCN(C)C)Cl

>  <InChI Std. ID>
InChI=1S/C24H32ClN3O2/c1-18-15-20(7-10-23(18)25)24(29)26-21-11-13-28(17-21)16-19-5-8-22(9-6-19)30-14-4-12-27(2)3/h5-10,15,21H,4,11-14,16-17H2,1-3H3,(H,26,29)/t21-/m0/s1

>  <InChI Key>
DNIACSKOVXUBCP-NRFANRHFSA-N

