(5S,7R)-N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-3-phenyl-adamantane-1-carboxamide

Systemtic Name: (5S,7R)-N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-3-phenyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-3-phenyl-adamantane-1-carboxamide CAS Name: (5S,7R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenyl-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenyladamantane-1-carboxamide Traditional Name: (5S,7R)-N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-3-phenyl-adamantane-1-carboxamide Formula: C27H32N2O2 MolecularWeight: 416.55518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C23C[C@@H]4C[C@H](C2)CC(C4)(C3)C5=CC=CC=C5

InChI

InChI=1S/C27H32N2O2/c1-18-7-6-8-19(2)24(18)29-23(30)16-28-25(31)27-14-20-11-21(15-27)13-26(12-20,17-27)22-9-4-3-5-10-22/h3-10,20-21H,11-17H2,1-2H3,(H,28,31)(H,29,30)/t20-,21+,26?,27?