N-(3-iodanyl-4-methyl-phenyl)-2-[2-(2-oxidanylpropylamino)benzimidazol-1-yl]ethanamide

Systemtic Name: N-(3-iodanyl-4-methyl-phenyl)-2-[2-(2-oxidanylpropylamino)benzimidazol-1-yl]ethanamide Openeye Name: 2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(3-iodo-4-methyl-phenyl)acetamide CAS Name: 2-[2-(2-hydroxypropylamino)-1-benzimidazolyl]-N-(3-iodo-4-methylphenyl)acetamide IUPAC Name: 2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(3-iodo-4-methylphenyl)acetamide Traditional Name: 2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(3-iodo-4-methyl-phenyl)acetamide Formula: C19H21IN4O2 MolecularWeight: 464.30011

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2NCC(C)O)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2NCC(C)O)I

InChI

InChI=1S/C19H21IN4O2/c1-12-7-8-14(9-15(12)20)22-18(26)11-24-17-6-4-3-5-16(17)23-19(24)21-10-13(2)25/h3-9,13,25H,10-11H2,1-2H3,(H,21,23)(H,22,26)