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

Systemtic Name: 2-[2-methoxy-4-[(3-oxidanyl-1-adamantyl)carbonylamino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide Openeye Name: 2-[4-[(3-hydroxyadamantane-1-carbonyl)amino]-2-methoxy-phenyl]-N-(2-pyridyl)-3H-benzimidazole-5-carboxamide CAS Name: 2-[4-[[(3-hydroxy-1-adamantyl)-oxomethyl]amino]-2-methoxyphenyl]-N-(2-pyridinyl)-3H-benzimidazole-5-carboxamide IUPAC Name: 2-[4-[(3-hydroxyadamantane-1-carbonyl)amino]-2-methoxyphenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide Traditional Name: 2-[4-[(3-hydroxyadamantane-1-carbonyl)amino]-2-methoxy-phenyl]-N-(2-pyridyl)-3H-benzimidazole-5-carboxamide Formula: C31H31N5O4 MolecularWeight: 537.60894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)O)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)O)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7

InChI

InChI=1S/C31H31N5O4/c1-40-25-12-21(33-29(38)30-13-18-10-19(14-30)16-31(39,15-18)17-30)6-7-22(25)27-34-23-8-5-20(11-24(23)35-27)28(37)36-26-4-2-3-9-32-26/h2-9,11-12,18-19,39H,10,13-17H2,1H3,(H,33,38)(H,34,35)(H,32,36,37)