4-[4-[3-[2-[2,5-bis(oxidanylidene)imidazolidin-4-yl]ethanoyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-1-(3,4-dimethoxyphenoxy)butyl]benzenecarbonitrile

Systemtic Name: 4-[4-[3-[2-[2,5-bis(oxidanylidene)imidazolidin-4-yl]ethanoyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-1-(3,4-dimethoxyphenoxy)butyl]benzenecarbonitrile Openeye Name: 4-[1-(3,4-dimethoxyphenoxy)-4-[3-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butyl]benzonitrile CAS Name: 4-[1-(3,4-dimethoxyphenoxy)-4-[3-[2-(2,5-dioxo-4-imidazolidinyl)-1-oxoethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butyl]benzonitrile IUPAC Name: 4-[1-(3,4-dimethoxyphenoxy)-4-[3-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butyl]benzonitrile Traditional Name: 4-[4-[3-[2-(2,5-diketoimidazolidin-4-yl)acetyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-1-(3,4-dimethoxyphenoxy)butyl]benzonitrile Formula: C30H35N5O6 MolecularWeight: 561.6288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OC(CCCN2C3CCC2CN(C3)C(=O)CC4C(=O)NC(=O)N4)C5=CC=C(C=C5)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)OC(CCCN2C3CCC2CN(C3)C(=O)CC4C(=O)NC(=O)N4)C5=CC=C(C=C5)C#N)OC

InChI

InChI=1S/C30H35N5O6/c1-39-26-12-11-23(14-27(26)40-2)41-25(20-7-5-19(16-31)6-8-20)4-3-13-35-21-9-10-22(35)18-34(17-21)28(36)15-24-29(37)33-30(38)32-24/h5-8,11-12,14,21-22,24-25H,3-4,9-10,13,15,17-18H2,1-2H3,(H2,32,33,37,38)