N-[4-(3-azanyl-3-methyl-but-1-ynyl)-2-chloranyl-5-fluoranyl-phenyl]-2-[4-chloranyl-2-(3-chloranyl-5-cyano-phenyl)carbonyl-phenoxy]ethanamide

Systemtic Name: N-[4-(3-azanyl-3-methyl-but-1-ynyl)-2-chloranyl-5-fluoranyl-phenyl]-2-[4-chloranyl-2-(3-chloranyl-5-cyano-phenyl)carbonyl-phenoxy]ethanamide Openeye Name: N-[4-(3-amino-3-methyl-but-1-ynyl)-2-chloro-5-fluoro-phenyl]-2-[4-chloro-2-(3-chloro-5-cyano-benzoyl)phenoxy]acetamide CAS Name: N-[4-(3-amino-3-methylbut-1-ynyl)-2-chloro-5-fluorophenyl]-2-[4-chloro-2-[(3-chloro-5-cyanophenyl)-oxomethyl]phenoxy]acetamide IUPAC Name: N-[4-(3-amino-3-methylbut-1-ynyl)-2-chloro-5-fluorophenyl]-2-[4-chloro-2-(3-chloro-5-cyanobenzoyl)phenoxy]acetamide Traditional Name: N-[4-(3-amino-3-methyl-but-1-ynyl)-2-chloro-5-fluoro-phenyl]-2-[4-chloro-2-(3-chloro-5-cyano-benzoyl)phenoxy]acetamide Formula: C27H19Cl3FN3O3 MolecularWeight: 558.815463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC(=C(C=C1F)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)C#N)Cl)Cl)N

Isomeric SMILES

CC(C)(C#CC1=CC(=C(C=C1F)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)C#N)Cl)Cl)N

InChI

InChI=1S/C27H19Cl3FN3O3/c1-27(2,33)6-5-16-10-21(30)23(12-22(16)31)34-25(35)14-37-24-4-3-18(28)11-20(24)26(36)17-7-15(13-32)8-19(29)9-17/h3-4,7-12H,14,33H2,1-2H3,(H,34,35)