3-[(6-methyl-3-oxidanyl-pyridin-2-yl)methyl]-2-(phenethylamino)benzimidazole-5-carbaldehyde

Systemtic Name: 3-[(6-methyl-3-oxidanyl-pyridin-2-yl)methyl]-2-(phenethylamino)benzimidazole-5-carbaldehyde Openeye Name: 3-[(3-hydroxy-6-methyl-2-pyridyl)methyl]-2-(phenethylamino)benzimidazole-5-carbaldehyde CAS Name: 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(phenethylamino)-5-benzimidazolecarboxaldehyde IUPAC Name: 3-[(3-hydroxy-6-methylpyridin-2-yl)methyl]-2-(phenethylamino)benzimidazole-5-carbaldehyde Traditional Name: 3-[(3-hydroxy-6-methyl-2-pyridyl)methyl]-2-(phenethylamino)benzimidazole-5-carbaldehyde Formula: C23H22N4O2 MolecularWeight: 386.44638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)O)CN2C3=C(C=CC(=C3)C=O)N=C2NCCC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=C(C=C1)O)CN2C3=C(C=CC(=C3)C=O)N=C2NCCC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O2/c1-16-7-10-22(29)20(25-16)14-27-21-13-18(15-28)8-9-19(21)26-23(27)24-12-11-17-5-3-2-4-6-17/h2-10,13,15,29H,11-12,14H2,1H3,(H,24,26)