
 CHEMBL418997

 79 82  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL418997

>  <PubChem CID>
9579313

>  <Formula>
C31H42BrN3O2

>  <Molecular Weight>
568.600000

>  <IUPAC Name>
[4-[4-[(Z)-C-(4-bromophenyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone

>  <XlogP>
7.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)C(=NOC(C)(C)C)C4=CC=C(C=C4)Br

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)/C(=N/OC(C)(C)C)/C4=CC=C(C=C4)Br

>  <InChI Std. ID>
InChI=1S/C31H42BrN3O2/c1-22-8-7-9-23(2)27(22)29(36)34-20-16-31(6,17-21-34)35-18-14-25(15-19-35)28(33-37-30(3,4)5)24-10-12-26(32)13-11-24/h7-13,25H,14-21H2,1-6H3/b33-28+

>  <InChI Key>
RYDCEMWPUOVZIA-PJJLUWSFSA-N

