(5S,7R)-N,N-diethyl-3-(4-methylphenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-N,N-diethyl-3-(4-methylphenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-N,N-diethyl-3-(p-tolyl)adamantane-1-carboxamide CAS Name: (5S,7R)-N,N-diethyl-3-(4-methylphenyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N,N-diethyl-3-(4-methylphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-N,N-diethyl-3-(p-tolyl)adamantane-1-carboxamide Formula: C22H31NO MolecularWeight: 325.48764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)C

Isomeric SMILES

CCN(CC)C(=O)C12C[C@@H]3C[C@H](C1)CC(C3)(C2)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H31NO/c1-4-23(5-2)20(24)22-13-17-10-18(14-22)12-21(11-17,15-22)19-8-6-16(3)7-9-19/h6-9,17-18H,4-5,10-15H2,1-3H3/t17-,18+,21?,22?