4-[1-(3,4-dimethoxyphenoxy)-4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butyl]benzenecarbonitrile

Systemtic Name: 4-[1-(3,4-dimethoxyphenoxy)-4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butyl]benzenecarbonitrile Openeye Name: 4-[1-(3,4-dimethoxyphenoxy)-4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butyl]benzonitrile CAS Name: 4-[1-(3,4-dimethoxyphenoxy)-4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butyl]benzonitrile IUPAC Name: 4-[1-(3,4-dimethoxyphenoxy)-4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butyl]benzonitrile Traditional Name: 4-[1-(3,4-dimethoxyphenoxy)-4-(3-homoveratryl-3,8-diazabicyclo[3.2.1]octan-8-yl)butyl]benzonitrile Formula: C35H43N3O5 MolecularWeight: 585.73302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CC3CCC(C2)N3CCCC(C4=CC=C(C=C4)C#N)OC5=CC(=C(C=C5)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CC3CCC(C2)N3CCCC(C4=CC=C(C=C4)C#N)OC5=CC(=C(C=C5)OC)OC)OC

InChI

InChI=1S/C35H43N3O5/c1-39-32-15-9-25(20-34(32)41-3)17-19-37-23-28-12-13-29(24-37)38(28)18-5-6-31(27-10-7-26(22-36)8-11-27)43-30-14-16-33(40-2)35(21-30)42-4/h7-11,14-16,20-21,28-29,31H,5-6,12-13,17-19,23-24H2,1-4H3