2-(1-adamantyl)-N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide Formula: C27H30N2O2 MolecularWeight: 414.5393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)CC45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)CC45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C27H30N2O2/c1-16-3-5-22(17(2)7-16)26-29-23-11-21(4-6-24(23)31-26)28-25(30)15-27-12-18-8-19(13-27)10-20(9-18)14-27/h3-7,11,18-20H,8-10,12-15H2,1-2H3,(H,28,30)