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

Systemtic Name: N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]ethyl]adamantane-1-carboxamide CAS Name: N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]adamantane-1-carboxamide Traditional Name: N-[2-[3-(4-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=CC=NC=C5

Isomeric SMILES

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

InChI

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