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

Systemtic Name: 4-[1-(3,4-dimethoxyphenoxy)-4-[3-(2-methylpropanoyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]butyl]benzenecarbonitrile Openeye Name: 4-[1-(3,4-dimethoxyphenoxy)-4-[3-(2-methylpropanoyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]butyl]benzonitrile CAS Name: 4-[1-(3,4-dimethoxyphenoxy)-4-[3-(2-methyl-1-oxopropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]butyl]benzonitrile IUPAC Name: 4-[1-(3,4-dimethoxyphenoxy)-4-[3-(2-methylpropanoyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]butyl]benzonitrile Traditional Name: 4-[1-(3,4-dimethoxyphenoxy)-4-(3-isobutyryl-3,8-diazabicyclo[3.2.1]octan-8-yl)butyl]benzonitrile Formula: C29H37N3O4 MolecularWeight: 491.62178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CC2CCC(C1)N2CCCC(C3=CC=C(C=C3)C#N)OC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)C(=O)N1CC2CCC(C1)N2CCCC(C3=CC=C(C=C3)C#N)OC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C29H37N3O4/c1-20(2)29(33)31-18-23-11-12-24(19-31)32(23)15-5-6-26(22-9-7-21(17-30)8-10-22)36-25-13-14-27(34-3)28(16-25)35-4/h7-10,13-14,16,20,23-24,26H,5-6,11-12,15,18-19H2,1-4H3