N-[3-(2-pyridin-2-ylethynyl)phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]adamantane-1-carboxamide Openeye Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]adamantane-1-carboxamide CAS Name: N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]adamantane-1-carboxamide Formula: C24H24N2O MolecularWeight: 356.46016

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=CC(=C4)C#CC5=CC=CC=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=CC(=C4)C#CC5=CC=CC=N5

InChI

InChI=1S/C24H24N2O/c27-23(24-14-18-10-19(15-24)12-20(11-18)16-24)26-22-6-3-4-17(13-22)7-8-21-5-1-2-9-25-21/h1-6,9,13,18-20H,10-12,14-16H2,(H,26,27)