8-[4-(4-cyanophenyl)-4-(3,4-dimethoxyphenoxy)butyl]-N-[4-(trifluoromethylsulfanyl)phenyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide

Systemtic Name: 8-[4-(4-cyanophenyl)-4-(3,4-dimethoxyphenoxy)butyl]-N-[4-(trifluoromethylsulfanyl)phenyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide Openeye Name: 8-[4-(4-cyanophenyl)-4-(3,4-dimethoxyphenoxy)butyl]-N-[4-(trifluoromethylsulfanyl)phenyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide CAS Name: 8-[4-(4-cyanophenyl)-4-(3,4-dimethoxyphenoxy)butyl]-N-[4-(trifluoromethylthio)phenyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide IUPAC Name: 8-[4-(4-cyanophenyl)-4-(3,4-dimethoxyphenoxy)butyl]-N-[4-(trifluoromethylsulfanyl)phenyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide Traditional Name: 8-[4-(4-cyanophenyl)-4-(3,4-dimethoxyphenoxy)butyl]-N-[4-(trifluoromethylthio)phenyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide Formula: C33H35F3N4O4S MolecularWeight: 640.71561

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OC(CCCN2C3CCC2CN(C3)C(=O)NC4=CC=C(C=C4)SC(F)(F)F)C5=CC=C(C=C5)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)OC(CCCN2C3CCC2CN(C3)C(=O)NC4=CC=C(C=C4)SC(F)(F)F)C5=CC=C(C=C5)C#N)OC

InChI

InChI=1S/C33H35F3N4O4S/c1-42-30-16-13-27(18-31(30)43-2)44-29(23-7-5-22(19-37)6-8-23)4-3-17-40-25-11-12-26(40)21-39(20-25)32(41)38-24-9-14-28(15-10-24)45-33(34,35)36/h5-10,13-16,18,25-26,29H,3-4,11-12,17,20-21H2,1-2H3,(H,38,41)