N-(5-methyl-1,2-oxazol-3-yl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: N-(5-methylisoxazol-3-yl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: N-(5-methyl-3-isoxazolyl)-3-(3-nitro-1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: N-(5-methylisoxazol-3-yl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C17H20N6O4 MolecularWeight: 372.3785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O4/c1-10-2-13(21-27-10)19-14(24)16-4-11-3-12(5-16)7-17(6-11,8-16)22-9-18-15(20-22)23(25)26/h2,9,11-12H,3-8H2,1H3,(H,19,21,24)