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

Systemtic Name: 2-[4-[1,3-benzodioxol-5-yl(oxidanyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide Openeye Name: 2-[4-[1,3-benzodioxol-5-yl(hydroxy)methyl]phenyl]-3H-benzimidazole-5-carboxamide CAS Name: 2-[4-[1,3-benzodioxol-5-yl(hydroxy)methyl]phenyl]-3H-benzimidazole-5-carboxamide IUPAC Name: 2-[4-[1,3-benzodioxol-5-yl(hydroxy)methyl]phenyl]-3H-benzimidazole-5-carboxamide Traditional Name: 2-[4-[1,3-benzodioxol-5-yl(hydroxy)methyl]phenyl]-3H-benzimidazole-5-carboxamide Formula: C22H17N3O4 MolecularWeight: 387.38808

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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

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

InChI

InChI=1S/C22H17N3O4/c23-21(27)15-5-7-16-17(9-15)25-22(24-16)13-3-1-12(2-4-13)20(26)14-6-8-18-19(10-14)29-11-28-18/h1-10,20,26H,11H2,(H2,23,27)(H,24,25)