
 CHEMBL516837

 74 78  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  36   1  38  -1
M  END

>  <Chemical Name>
CHEMBL516837

>  <PubChem CID>
44564702

>  <Formula>
C31H36N4O3

>  <Molecular Weight>
512.654000

>  <IUPAC Name>
3-[2-(6,11-dihydro-5H-dibenzo[1,2-a:1',2'-e][7]annulen-11-yl)ethyl-methylamino]-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(CCC1C2=CC=CC=C2CCC3=CC=CC=C13)CCC(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

>  <Isomeric SMILES>
CN(CCC1C2=CC=CC=C2CCC3=CC=CC=C13)CCC(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

>  <InChI Std. ID>
InChI=1S/C31H36N4O3/c1-32(18-16-30-28-8-4-2-6-24(28)10-11-25-7-3-5-9-29(25)30)19-17-31(36)34-22-20-33(21-23-34)26-12-14-27(15-13-26)35(37)38/h2-9,12-15,30H,10-11,16-23H2,1H3

>  <InChI Key>
AQURMEIWPYGRPB-UHFFFAOYSA-N

