2-[4-[(3-methyl-5-oxidanyl-1-adamantyl)carbonylamino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide

Systemtic Name: 2-[4-[(3-methyl-5-oxidanyl-1-adamantyl)carbonylamino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide Openeye Name: 2-[4-[(3-hydroxy-5-methyl-adamantane-1-carbonyl)amino]phenyl]-N-(2-pyridyl)-3H-benzimidazole-5-carboxamide CAS Name: 2-[4-[[(3-hydroxy-5-methyl-1-adamantyl)-oxomethyl]amino]phenyl]-N-(2-pyridinyl)-3H-benzimidazole-5-carboxamide IUPAC Name: 2-[4-[(3-hydroxy-5-methyladamantane-1-carbonyl)amino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide Traditional Name: 2-[4-[(3-hydroxy-5-methyl-adamantane-1-carbonyl)amino]phenyl]-N-(2-pyridyl)-3H-benzimidazole-5-carboxamide Formula: C31H31N5O3 MolecularWeight: 521.60954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)O)C(=O)NC4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)O)C(=O)NC4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7

InChI

InChI=1S/C31H31N5O3/c1-29-13-19-14-30(16-29,18-31(39,15-19)17-29)28(38)33-22-8-5-20(6-9-22)26-34-23-10-7-21(12-24(23)35-26)27(37)36-25-4-2-3-11-32-25/h2-12,19,39H,13-18H2,1H3,(H,33,38)(H,34,35)(H,32,36,37)