3-acetamido-N-[[3-(2-methylpropanoylamino)phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: 3-acetamido-N-[[3-(2-methylpropanoylamino)phenyl]methyl]adamantane-1-carboxamide Openeye Name: 3-acetamido-N-[[3-(2-methylpropanoylamino)phenyl]methyl]adamantane-1-carboxamide CAS Name: 3-acetamido-N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: 3-acetamido-N-[[3-(2-methylpropanoylamino)phenyl]methyl]adamantane-1-carboxamide Traditional Name: 3-acetamido-N-[3-(isobutyrylamino)benzyl]adamantane-1-carboxamide Formula: C24H33N3O3 MolecularWeight: 411.53712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

InChI

InChI=1S/C24H33N3O3/c1-15(2)21(29)26-20-6-4-5-17(8-20)13-25-22(30)23-9-18-7-19(10-23)12-24(11-18,14-23)27-16(3)28/h4-6,8,15,18-19H,7,9-14H2,1-3H3,(H,25,30)(H,26,29)(H,27,28)