
 CHEMBL102311

 65 69  0  0  0  0  0  0  0  0999 V2000
    5.6403   -2.0061    3.3382 C   0  0  0  0  0
    5.0500   -0.7623    3.6951 O   0  0  0  0  0
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    5.4443   -8.2737   -4.7179 C   0  0  0  0  0
    5.6484   -8.6200   -3.3639 C   0  0  0  0  0
    5.8444   -2.5522    4.2649 H   0  0  0  0  0
    6.5942   -1.8809    2.8152 H   0  0  0  0  0
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    3.9302   -3.0622   -0.8948 H   0  0  0  0  0
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    3.3206  -11.2169   -1.4222 H   0  0  0  0  0
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    5.0396   -8.9179   -6.7346 H   0  0  0  0  0
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  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL102311

>  <PubChem CID>
44332239

>  <Formula>
C30H30N2O3

>  <Molecular Weight>
466.581000

>  <IUPAC Name>
2-methoxy-N-[4-(spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-carbonyl)phenyl]benzamide

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CCC4(CCCC=C4)CC5=CC=CC=C53

>  <Isomeric SMILES>
COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CCC4(CCCC=C4)CC5=CC=CC=C53

>  <InChI Std. ID>
InChI=1S/C30H30N2O3/c1-35-27-12-6-4-10-25(27)28(33)31-24-15-13-22(14-16-24)29(34)32-20-19-30(17-7-2-8-18-30)21-23-9-3-5-11-26(23)32/h3-7,9-17H,2,8,18-21H2,1H3,(H,31,33)

>  <InChI Key>
ANLNFRWXCULLSI-UHFFFAOYSA-N

