(5S,7R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-[2-(diethylaminomethyl)benzyl]adamantane-1-carboxamide Formula: C25H37N3O2 MolecularWeight: 411.58018

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1CNC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1CNC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)NC(=O)C

InChI

InChI=1S/C25H37N3O2/c1-4-28(5-2)16-22-9-7-6-8-21(22)15-26-23(30)24-11-19-10-20(12-24)14-25(13-19,17-24)27-18(3)29/h6-9,19-20H,4-5,10-17H2,1-3H3,(H,26,30)(H,27,29)/t19-,20+,24?,25?