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

Systemtic Name: N-(5-fluoranyl-2-methyl-phenyl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: N-(5-fluoro-2-methyl-phenyl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: N-(5-fluoro-2-methylphenyl)-3-(3-nitro-1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: N-(5-fluoro-2-methylphenyl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: N-(5-fluoro-2-methyl-phenyl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C20H22FN5O3 MolecularWeight: 399.418783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)F)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)[N+](=O)[O-]

InChI

InChI=1S/C20H22FN5O3/c1-12-2-3-15(21)5-16(12)23-17(27)19-6-13-4-14(7-19)9-20(8-13,10-19)25-11-22-18(24-25)26(28)29/h2-3,5,11,13-14H,4,6-10H2,1H3,(H,23,27)