N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-iodanyl-benzamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-iodanyl-benzamide Openeye Name: N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-iodo-benzamide CAS Name: N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-iodobenzamide IUPAC Name: N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-iodobenzamide Traditional Name: N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-iodo-benzamide Formula: C22H17IN2O2 MolecularWeight: 468.28705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=CC=C4)I)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=CC=C4)I)C

InChI

InChI=1S/C22H17IN2O2/c1-13-6-7-16(10-14(13)2)22-25-19-12-18(8-9-20(19)27-22)24-21(26)15-4-3-5-17(23)11-15/h3-12H,1-2H3,(H,24,26)