1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexane-1-carbonitrile

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexane-1-carbonitrile Openeye Name: 1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexanecarbonitrile CAS Name: 1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-cyclohexanecarbonitrile IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexane-1-carbonitrile Traditional Name: 1-(3,4-dimethoxyphenyl)-3-(homoveratrylamino)cyclohexanecarbonitrile Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2CCCC(C2)(C#N)C3=CC(=C(C=C3)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2CCCC(C2)(C#N)C3=CC(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C25H32N2O4/c1-28-21-9-7-18(14-23(21)30-3)11-13-27-20-6-5-12-25(16-20,17-26)19-8-10-22(29-2)24(15-19)31-4/h7-10,14-15,20,27H,5-6,11-13,16H2,1-4H3