N-[4-[(4-bromanyl-2-fluoranyl-phenyl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[(4-bromanyl-2-fluoranyl-phenyl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-(4-bromo-2-fluoro-anilino)-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-(4-bromo-2-fluoroanilino)-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(4-bromo-2-fluoroanilino)-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-(4-bromo-2-fluoro-anilino)-4-keto-butyl]adamantane-1-carboxamide Formula: C21H26BrFN2O2 MolecularWeight: 437.345743

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C21H26BrFN2O2/c22-16-3-4-18(17(23)9-16)25-19(26)2-1-5-24-20(27)21-10-13-6-14(11-21)8-15(7-13)12-21/h3-4,9,13-15H,1-2,5-8,10-12H2,(H,24,27)(H,25,26)