N-[[4-(diethylamino)phenyl]methyl]-N-pyridin-2-yl-adamantane-1-carboxamide

Systemtic Name: N-[[4-(diethylamino)phenyl]methyl]-N-pyridin-2-yl-adamantane-1-carboxamide Openeye Name: N-[[4-(diethylamino)phenyl]methyl]-N-(2-pyridyl)adamantane-1-carboxamide CAS Name: N-[[4-(diethylamino)phenyl]methyl]-N-(2-pyridinyl)-1-adamantanecarboxamide IUPAC Name: N-[[4-(diethylamino)phenyl]methyl]-N-pyridin-2-yladamantane-1-carboxamide Traditional Name: N-[4-(diethylamino)benzyl]-N-(2-pyridyl)adamantane-1-carboxamide Formula: C27H35N3O MolecularWeight: 417.5863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)CN(C2=CC=CC=N2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)CN(C2=CC=CC=N2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H35N3O/c1-3-29(4-2)24-10-8-20(9-11-24)19-30(25-7-5-6-12-28-25)26(31)27-16-21-13-22(17-27)15-23(14-21)18-27/h5-12,21-23H,3-4,13-19H2,1-2H3