N-(3-ethanoylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide

Systemtic Name: N-(3-ethanoylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: N-(3-acetylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: N-(3-acetylphenyl)-3-(1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: N-(3-acetylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: N-(3-acetylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC=N5

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC=N5

InChI

InChI=1S/C21H24N4O2/c1-14(26)17-3-2-4-18(6-17)24-19(27)20-7-15-5-16(8-20)10-21(9-15,11-20)25-13-22-12-23-25/h2-4,6,12-13,15-16H,5,7-11H2,1H3,(H,24,27)