
 SCHEMBL2684430

 60 64  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL2684430

>  <PubChem CID>
67496595

>  <Formula>
C24H30BrN3O2

>  <Molecular Weight>
472.427000

>  <IUPAC Name>
(1R,2R,3R,4S)-3-N-(4-bromophenyl)-2-N-[2-(1-methylpyrrolidin-2-yl)ethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CCCC1CCNC(=O)C2C3C=CC(C2C(=O)NC4=CC=C(C=C4)Br)C35CC5

>  <Isomeric SMILES>
CN1CCCC1CCNC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)NC4=CC=C(C=C4)Br)C35CC5

>  <InChI Std. ID>
InChI=1S/C24H30BrN3O2/c1-28-14-2-3-17(28)10-13-26-22(29)20-18-8-9-19(24(18)11-12-24)21(20)23(30)27-16-6-4-15(25)5-7-16/h4-9,17-21H,2-3,10-14H2,1H3,(H,26,29)(H,27,30)/t17?,18-,19+,20-,21-/m1/s1

>  <InChI Key>
AKPXDVNEQLBKQA-JAGQDSLRSA-N

