2-(1-adamantyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide

Systemtic Name: 2-(1-adamantyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide Openeye Name: 2-(1-adamantyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide CAS Name: 2-(1-adamantyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyridinecarboxamide IUPAC Name: 2-(1-adamantyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide Traditional Name: 2-(1-adamantyl)-N-homoveratryl-isonicotinamide Formula: C26H32N2O3 MolecularWeight: 420.54388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=NC=C2)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=NC=C2)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C26H32N2O3/c1-30-22-4-3-17(12-23(22)31-2)5-7-28-25(29)21-6-8-27-24(13-21)26-14-18-9-19(15-26)11-20(10-18)16-26/h3-4,6,8,12-13,18-20H,5,7,9-11,14-16H2,1-2H3,(H,28,29)