3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(3-chloranyl-4-fluoranyl-phenyl)adamantane-1-carboxamide

Systemtic Name: 3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(3-chloranyl-4-fluoranyl-phenyl)adamantane-1-carboxamide Openeye Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluoro-phenyl)adamantane-1-carboxamide CAS Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluorophenyl)-1-adamantanecarboxamide IUPAC Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluorophenyl)adamantane-1-carboxamide Traditional Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluoro-phenyl)adamantane-1-carboxamide Formula: C19H19BrClFN4O MolecularWeight: 453.735763

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Br)C(=O)NC5=CC(=C(C=C5)F)Cl

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Br)C(=O)NC5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C19H19BrClFN4O/c20-17-23-10-26(25-17)19-7-11-3-12(8-19)6-18(5-11,9-19)16(27)24-13-1-2-15(22)14(21)4-13/h1-2,4,10-12H,3,5-9H2,(H,24,27)