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

Systemtic Name: 2-[4-(1-adamantylcarbonylamino)-2-methoxy-phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide Openeye Name: 2-[4-(adamantane-1-carbonylamino)-2-methoxy-phenyl]-N-(2-pyridyl)-3H-benzimidazole-5-carboxamide CAS Name: 2-[4-[[1-adamantyl(oxo)methyl]amino]-2-methoxyphenyl]-N-(2-pyridinyl)-3H-benzimidazole-5-carboxamide IUPAC Name: 2-[4-(adamantane-1-carbonylamino)-2-methoxyphenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide Traditional Name: 2-[4-(adamantane-1-carbonylamino)-2-methoxy-phenyl]-N-(2-pyridyl)-3H-benzimidazole-5-carboxamide Formula: C31H31N5O3 MolecularWeight: 521.60954

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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