
 SCHEMBL1432281

 68 72  0  0  0  0  0  0  0  0999 V2000
    6.9315    3.2337   -7.0563 C   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1432281

>  <PubChem CID>
21310426

>  <Formula>
C29H34ClN3O

>  <Molecular Weight>
476.061000

>  <IUPAC Name>
5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]-N-[(4S)-2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl]pyrazole-3-carboxamide

>  <XlogP>
7.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC=C(C=C1)CN2C(=CC(=N2)C(=O)NC3C(C4CCC3(C4)C)(C)C)C5=CC(=C(C=C5)Cl)C

>  <Isomeric SMILES>
CC1=CC=C(C=C1)CN2C(=CC(=N2)C(=O)NC3[C@]4(CCC(C4)C3(C)C)C)C5=CC(=C(C=C5)Cl)C

>  <InChI Std. ID>
InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1

>  <InChI Key>
SUGVYNSRNKFXQM-ACSDJOOWSA-N

