
 CHEMBL99198

 68 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL99198

>  <PubChem CID>
44329321

>  <Formula>
C30H34N2O2

>  <Molecular Weight>
454.614000

>  <IUPAC Name>
N-[4-[(4aS,10bS)-7-hydroxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]butyl]-4-phenylbenzamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC2C(CCC3=C2C=CC=C3O)N(C1)CCCCNC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

>  <Isomeric SMILES>
C1C[C@@H]2[C@H](CCC3=C2C=CC=C3O)N(C1)CCCCNC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C30H34N2O2/c33-29-12-6-10-25-26-11-7-21-32(28(26)18-17-27(25)29)20-5-4-19-31-30(34)24-15-13-23(14-16-24)22-8-2-1-3-9-22/h1-3,6,8-10,12-16,26,28,33H,4-5,7,11,17-21H2,(H,31,34)/t26-,28-/m0/s1

>  <InChI Key>
AIXVGZUOFPCOMV-XCZPVHLTSA-N

