
 CID 56683603

 60 65  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 56683603

>  <PubChem CID>
56683603

>  <Formula>
C27H24ClN5O3

>  <Molecular Weight>
501.971000

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

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN2C(CN1C(=O)NC3=C(N=CC=C3)C4=CC=CC=C4Cl)C(=O)N(C2=O)C5CC5C6=CC=CC=C6

>  <Isomeric SMILES>
C1CN2C(CN1C(=O)NC3=C(N=CC=C3)C4=CC=CC=C4Cl)C(=O)N(C2=O)[C@H]5C[C@@H]5C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C27H24ClN5O3/c28-20-10-5-4-9-18(20)24-21(11-6-12-29-24)30-26(35)31-13-14-32-23(16-31)25(34)33(27(32)36)22-15-19(22)17-7-2-1-3-8-17/h1-12,19,22-23H,13-16H2,(H,30,35)/t19-,22+,23?/m1/s1

>  <InChI Key>
BHDJYICBLHHMEY-BSJAROSPSA-N

