N-[[4-(1-pyridin-4-ylethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-(1-pyridin-4-ylethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[1-(4-pyridyl)ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[oxo-(1-pyridin-4-ylethylamino)methyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(1-pyridin-4-ylethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[1-(4-pyridyl)ethylcarbamoyl]benzyl]adamantane-1-carboxamide Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C1=CC=NC=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H31N3O2/c1-17(22-6-8-27-9-7-22)29-24(30)23-4-2-18(3-5-23)16-28-25(31)26-13-19-10-20(14-26)12-21(11-19)15-26/h2-9,17,19-21H,10-16H2,1H3,(H,28,31)(H,29,30)