
 CHEMBL462157

 67 71  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  19   1  21  -1
M  END

>  <Chemical Name>
CHEMBL462157

>  <PubChem CID>
44564784

>  <Formula>
C28H31N5O3

>  <Molecular Weight>
485.588000

>  <IUPAC Name>
3-[2-carbazol-9-ylethyl(methyl)amino]-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])CCN3C4=CC=CC=C4C5=CC=CC=C53

>  <Isomeric SMILES>
CN(CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])CCN3C4=CC=CC=C4C5=CC=CC=C53

>  <InChI Std. ID>
InChI=1S/C28H31N5O3/c1-29(16-21-32-26-8-4-2-6-24(26)25-7-3-5-9-27(25)32)15-14-28(34)31-19-17-30(18-20-31)22-10-12-23(13-11-22)33(35)36/h2-13H,14-21H2,1H3

>  <InChI Key>
GRDUAFHKDVPDQM-UHFFFAOYSA-N

