
 Mozavaptan

 61 64  0  0  0  0  0  0  0  0999 V2000
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   -4.2531   -7.0926    2.2208 C   0  0  0  0  0
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M  END

>  <Chemical Name>
Mozavaptan

>  <PubChem CID>
119369

>  <Formula>
C27H29N3O2

>  <Molecular Weight>
427.548000

>  <IUPAC Name>
N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CCCC(C4=CC=CC=C43)N(C)C

>  <Isomeric SMILES>
CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CCCC(C4=CC=CC=C43)N(C)C

>  <InChI Std. ID>
InChI=1S/C27H29N3O2/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31)

>  <InChI Key>
WRNXUQJJCIZICJ-UHFFFAOYSA-N

