N'-tert-butyl-N'-(2-chloranyl-4-fluoranyl-phenyl)carbonyl-adamantane-1-carbohydrazide

Systemtic Name: N'-tert-butyl-N'-(2-chloranyl-4-fluoranyl-phenyl)carbonyl-adamantane-1-carbohydrazide Openeye Name: N'-tert-butyl-N'-(2-chloro-4-fluoro-benzoyl)adamantane-1-carbohydrazide CAS Name: N'-tert-butyl-N'-[(2-chloro-4-fluorophenyl)-oxomethyl]-1-adamantanecarbohydrazide IUPAC Name: N'-tert-butyl-N'-(2-chloro-4-fluorobenzoyl)adamantane-1-carbohydrazide Traditional Name: N'-tert-butyl-N'-(2-chloro-4-fluoro-benzoyl)adamantane-1-carbohydrazide Formula: C22H28ClFN2O2 MolecularWeight: 406.921323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C(=O)C1=C(C=C(C=C1)F)Cl)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)(C)N(C(=O)C1=C(C=C(C=C1)F)Cl)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H28ClFN2O2/c1-21(2,3)26(19(27)17-5-4-16(24)9-18(17)23)25-20(28)22-10-13-6-14(11-22)8-15(7-13)12-22/h4-5,9,13-15H,6-8,10-12H2,1-3H3,(H,25,28)