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

Systemtic Name: 4-[1-(3,4-dimethoxyphenoxy)-4-[3-(phenylmethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]butyl]benzenecarbonitrile Openeye Name: 4-[4-(3-benzyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1-(3,4-dimethoxyphenoxy)butyl]benzonitrile CAS Name: 4-[1-(3,4-dimethoxyphenoxy)-4-[3-(phenylmethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]butyl]benzonitrile IUPAC Name: 4-[4-(3-benzyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1-(3,4-dimethoxyphenoxy)butyl]benzonitrile Traditional Name: 4-[4-(3-benzyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1-(3,4-dimethoxyphenoxy)butyl]benzonitrile Formula: C32H37N3O3 MolecularWeight: 511.65448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OC(CCCN2C3CCC2CN(C3)CC4=CC=CC=C4)C5=CC=C(C=C5)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)OC(CCCN2C3CCC2CN(C3)CC4=CC=CC=C4)C5=CC=C(C=C5)C#N)OC

InChI

InChI=1S/C32H37N3O3/c1-36-31-17-16-29(19-32(31)37-2)38-30(26-12-10-24(20-33)11-13-26)9-6-18-35-27-14-15-28(35)23-34(22-27)21-25-7-4-3-5-8-25/h3-5,7-8,10-13,16-17,19,27-28,30H,6,9,14-15,18,21-23H2,1-2H3