N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[3-(3-pyridyl)-1H-1,2,4-triazol-5-yl]ethyl]adamantane-1-carboxamide CAS Name: N-[2-[3-(3-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]adamantane-1-carboxamide Traditional Name: N-[2-[3-(3-pyridyl)-1H-1,2,4-triazol-5-yl]ethyl]adamantane-1-carboxamide Formula: C20H25N5O MolecularWeight: 351.4454

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC4=NC(=NN4)C5=CN=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC4=NC(=NN4)C5=CN=CC=C5

InChI

InChI=1S/C20H25N5O/c26-19(20-9-13-6-14(10-20)8-15(7-13)11-20)22-5-3-17-23-18(25-24-17)16-2-1-4-21-12-16/h1-2,4,12-15H,3,5-11H2,(H,22,26)(H,23,24,25)