3-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]adamantane-1-carboxamide

Systemtic Name: 3-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]adamantane-1-carboxamide Openeye Name: 3-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]adamantane-1-carboxamide CAS Name: 3-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-adamantanecarboxamide IUPAC Name: 3-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]adamantane-1-carboxamide Traditional Name: 3-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]adamantane-1-carboxamide Formula: C28H35NO2 MolecularWeight: 417.583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NCCC5=CC=C(C=C5)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NCCC5=CC=C(C=C5)OC)C

InChI

InChI=1S/C28H35NO2/c1-19-4-7-24(12-20(19)2)27-14-22-13-23(15-27)17-28(16-22,18-27)26(30)29-11-10-21-5-8-25(31-3)9-6-21/h4-9,12,22-23H,10-11,13-18H2,1-3H3,(H,29,30)