
 CHEMBL3290449

 61 66  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3290449

>  <PubChem CID>
90644818

>  <Formula>
C27H27Cl2N3O2

>  <Molecular Weight>
496.432000

>  <IUPAC Name>
1-(2,4-dichlorophenyl)-6-methyl-N-[(3S,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]-[1]benzofuro[3,2-c]pyrazole-3-carboxamide

>  <XlogP>
7.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC2=C(C=C1)C3=C(O2)C(=NN3C4=C(C=C(C=C4)Cl)Cl)C(=O)NC5CC6CCC5(C6(C)C)C

>  <Isomeric SMILES>
CC1=CC2=C(C=C1)C3=C(O2)C(=NN3C4=C(C=C(C=C4)Cl)Cl)C(=O)N[C@H]5CC6CC[C@@]5(C6(C)C)C

>  <InChI Std. ID>
InChI=1S/C27H27Cl2N3O2/c1-14-5-7-17-20(11-14)34-24-22(31-32(23(17)24)19-8-6-16(28)13-18(19)29)25(33)30-21-12-15-9-10-27(21,4)26(15,2)3/h5-8,11,13,15,21H,9-10,12H2,1-4H3,(H,30,33)/t15?,21-,27-/m0/s1

>  <InChI Key>
CNBPDTSHWYACCT-VYXAIIGSSA-N

