2-[4-[(6-chloranyl-1,3-benzodioxol-5-yl)-oxidanyl-methyl]phenyl]-3H-benzimidazole-5-carboxamide

Systemtic Name: 2-[4-[(6-chloranyl-1,3-benzodioxol-5-yl)-oxidanyl-methyl]phenyl]-3H-benzimidazole-5-carboxamide Openeye Name: 2-[4-[(6-chloro-1,3-benzodioxol-5-yl)-hydroxy-methyl]phenyl]-3H-benzimidazole-5-carboxamide CAS Name: 2-[4-[(6-chloro-1,3-benzodioxol-5-yl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide IUPAC Name: 2-[4-[(6-chloro-1,3-benzodioxol-5-yl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide Traditional Name: 2-[4-[(6-chloro-1,3-benzodioxol-5-yl)-hydroxy-methyl]phenyl]-3H-benzimidazole-5-carboxamide Formula: C22H16ClN3O4 MolecularWeight: 421.83314

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(C3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=O)N)O)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(C3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=O)N)O)Cl

InChI

InChI=1S/C22H16ClN3O4/c23-15-9-19-18(29-10-30-19)8-14(15)20(27)11-1-3-12(4-2-11)22-25-16-6-5-13(21(24)28)7-17(16)26-22/h1-9,20,27H,10H2,(H2,24,28)(H,25,26)