
 CID 56850799

 53 55  0  0  0  0  0  0  0  0999 V2000
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    4.6055    3.4869    8.5911 H   0  0  0  0  0
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    7.8239    2.4978    6.2013 H   0  0  0  0  0
    3.6309    1.7216    3.8875 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CID 56850799

>  <PubChem CID>
56850799

>  <Formula>
C20H26ClN3O3

>  <Molecular Weight>
391.896000

>  <IUPAC Name>
2-[(E)-4-(3,4-dihydro-2H-chromen-2-ylmethylamino)but-2-enyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC2C(=O)N(C(=O)N2C1)CC=CCNCC3CCC4=CC=CC=C4O3.Cl

>  <Isomeric SMILES>
C1CC2C(=O)N(C(=O)N2C1)C/C=C/CNCC3CCC4=CC=CC=C4O3.Cl

>  <InChI Std. ID>
InChI=1S/C20H25N3O3.ClH/c24-19-17-7-5-13-22(17)20(25)23(19)12-4-3-11-21-14-16-10-9-15-6-1-2-8-18(15)26-16;/h1-4,6,8,16-17,21H,5,7,9-14H2;1H/b4-3+;

>  <InChI Key>
FGKQOVYQBDNUIY-BJILWQEISA-N

