2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-iodanyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-iodanyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[3-(1,3-benzoxazol-2-yl)-1-piperidyl]-N-(3-iodo-4-methyl-phenyl)acetamide CAS Name: 2-[3-(1,3-benzoxazol-2-yl)-1-piperidinyl]-N-(3-iodo-4-methylphenyl)acetamide IUPAC Name: 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-iodo-4-methylphenyl)acetamide Traditional Name: 2-[3-(1,3-benzoxazol-2-yl)piperidino]-N-(3-iodo-4-methyl-phenyl)acetamide Formula: C21H22IN3O2 MolecularWeight: 475.32275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2CCCC(C2)C3=NC4=CC=CC=C4O3)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2CCCC(C2)C3=NC4=CC=CC=C4O3)I

InChI

InChI=1S/C21H22IN3O2/c1-14-8-9-16(11-17(14)22)23-20(26)13-25-10-4-5-15(12-25)21-24-18-6-2-3-7-19(18)27-21/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3,(H,23,26)