6-[1-adamantyl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-hex-4-ynenitrile

Systemtic Name: 6-[1-adamantyl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-hex-4-ynenitrile Openeye Name: 6-[1-adamantyl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-hex-4-ynenitrile CAS Name: 6-[1-adamantyl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-4-hexynenitrile IUPAC Name: 6-[1-adamantyl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-ylhex-4-ynenitrile Traditional Name: 6-[1-adamantyl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-hex-4-ynenitrile Formula: C28H38N2O2 MolecularWeight: 434.61352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC#CCN(C)C12CC3CC(C1)CC(C3)C2)(C#N)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)C(CC#CCN(C)C12CC3CC(C1)CC(C3)C2)(C#N)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H38N2O2/c1-20(2)28(19-29,24-8-9-25(31-4)26(15-24)32-5)10-6-7-11-30(3)27-16-21-12-22(17-27)14-23(13-21)18-27/h8-9,15,20-23H,10-14,16-18H2,1-5H3