
 CID 56673457

 51 55  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 56673457

>  <PubChem CID>
56673457

>  <Formula>
C22H19Cl2FN4O3

>  <Molecular Weight>
477.317000

>  <IUPAC Name>
N-(2,6-dichloro-4-fluorophenyl)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN2C(CN1C(=O)NC3=C(C=C(C=C3Cl)F)Cl)C(=O)N(C2=O)C4CC4C5=CC=CC=C5

>  <Isomeric SMILES>
C1CN2C(CN1C(=O)NC3=C(C=C(C=C3Cl)F)Cl)C(=O)N(C2=O)[C@H]4C[C@@H]4C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C22H19Cl2FN4O3/c23-15-8-13(25)9-16(24)19(15)26-21(31)27-6-7-28-18(11-27)20(30)29(22(28)32)17-10-14(17)12-4-2-1-3-5-12/h1-5,8-9,14,17-18H,6-7,10-11H2,(H,26,31)/t14-,17+,18?/m1/s1

>  <InChI Key>
CEQYKGMKRAILAB-NAVMLSPISA-N

