2-(1-adamantyl)-N-[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]acetamide Formula: C25H24ClIN2O2 MolecularWeight: 546.82773

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC5=C(C=C4)OC(=N5)C6=C(C=CC(=C6)I)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC5=C(C=C4)OC(=N5)C6=C(C=CC(=C6)I)Cl

InChI

InChI=1S/C25H24ClIN2O2/c26-20-3-1-17(27)8-19(20)24-29-21-9-18(2-4-22(21)31-24)28-23(30)13-25-10-14-5-15(11-25)7-16(6-14)12-25/h1-4,8-9,14-16H,5-7,10-13H2,(H,28,30)