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

Systemtic Name: 6-[1-adamantylmethyl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-hex-4-ynenitrile Openeye Name: 6-[1-adamantylmethyl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-hex-4-ynenitrile CAS Name: 6-[1-adamantylmethyl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-4-hexynenitrile IUPAC Name: 6-[1-adamantylmethyl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-ylhex-4-ynenitrile Traditional Name: 6-[1-adamantylmethyl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-hex-4-ynenitrile Formula: C29H40N2O2 MolecularWeight: 448.6401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC#CCN(C)CC12CC3CC(C1)CC(C3)C2)(C#N)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)C(CC#CCN(C)CC12CC3CC(C1)CC(C3)C2)(C#N)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C29H40N2O2/c1-21(2)29(19-30,25-8-9-26(32-4)27(15-25)33-5)10-6-7-11-31(3)20-28-16-22-12-23(17-28)14-24(13-22)18-28/h8-9,15,21-24H,10-14,16-18,20H2,1-5H3