2-(1-adamantyl)-N-[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]acetamide Formula: C25H25IN2O2 MolecularWeight: 512.38267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25IN2O2/c26-19-3-1-2-18(9-19)24-28-21-10-20(4-5-22(21)30-24)27-23(29)14-25-11-15-6-16(12-25)8-17(7-15)13-25/h1-5,9-10,15-17H,6-8,11-14H2,(H,27,29)