N-[[3,4-bis(oxidanyl)phenyl]methyl]-1-cyclohexyl-2-pyridin-2-yl-benzimidazole-5-carboxamide

Systemtic Name: N-[[3,4-bis(oxidanyl)phenyl]methyl]-1-cyclohexyl-2-pyridin-2-yl-benzimidazole-5-carboxamide Openeye Name: 1-cyclohexyl-N-[(3,4-dihydroxyphenyl)methyl]-2-(2-pyridyl)benzimidazole-5-carboxamide CAS Name: 1-cyclohexyl-N-[(3,4-dihydroxyphenyl)methyl]-2-(2-pyridinyl)-5-benzimidazolecarboxamide IUPAC Name: 1-cyclohexyl-N-[(3,4-dihydroxyphenyl)methyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide Traditional Name: 1-cyclohexyl-N-protocatechuyl-2-(2-pyridyl)benzimidazole-5-carboxamide Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NCC4=CC(=C(C=C4)O)O)N=C2C5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NCC4=CC(=C(C=C4)O)O)N=C2C5=CC=CC=N5

InChI

InChI=1S/C26H26N4O3/c31-23-12-9-17(14-24(23)32)16-28-26(33)18-10-11-22-21(15-18)29-25(20-8-4-5-13-27-20)30(22)19-6-2-1-3-7-19/h4-5,8-15,19,31-32H,1-3,6-7,16H2,(H,28,33)