
 CHEMBL1835766

 69 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1835766

>  <PubChem CID>
56594505

>  <Formula>
C31H32N4O2

>  <Molecular Weight>
492.623000

>  <IUPAC Name>
4-(1-oxophthalazin-2-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCN(CC1)CC2=CC3=C(C=C2)C(CCC3)NC(=O)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C=N5

>  <Isomeric SMILES>
C1CCN(CC1)CC2=CC3=C(C=C2)[C@@H](CCC3)NC(=O)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C=N5

>  <InChI Std. ID>
InChI=1S/C31H32N4O2/c36-30(23-12-14-26(15-13-23)35-31(37)28-9-3-2-7-25(28)20-32-35)33-29-10-6-8-24-19-22(11-16-27(24)29)21-34-17-4-1-5-18-34/h2-3,7,9,11-16,19-20,29H,1,4-6,8,10,17-18,21H2,(H,33,36)/t29-/m1/s1

>  <InChI Key>
BUJGZRIHAKBHJI-GDLZYMKVSA-N

