(5S,7R)-3-acetamido-N-[(4-methylphenyl)methyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-acetamido-N-[(4-methylphenyl)methyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-(p-tolylmethyl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-[(4-methylphenyl)methyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-[(4-methylphenyl)methyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-(4-methylbenzyl)adamantane-1-carboxamide Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2/c1-14-3-5-16(6-4-14)12-22-19(25)20-8-17-7-18(9-20)11-21(10-17,13-20)23-15(2)24/h3-6,17-18H,7-13H2,1-2H3,(H,22,25)(H,23,24)/t17-,18+,20?,21?