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

Systemtic Name: 2-[4-(1-adamantylcarbonylamino)-2-fluoranyl-phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide Openeye Name: 2-[4-(adamantane-1-carbonylamino)-2-fluoro-phenyl]-N-(2-pyridyl)-3H-benzimidazole-5-carboxamide CAS Name: 2-[4-[[1-adamantyl(oxo)methyl]amino]-2-fluorophenyl]-N-(2-pyridinyl)-3H-benzimidazole-5-carboxamide IUPAC Name: 2-[4-(adamantane-1-carbonylamino)-2-fluorophenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide Traditional Name: 2-[4-(adamantane-1-carbonylamino)-2-fluoro-phenyl]-N-(2-pyridyl)-3H-benzimidazole-5-carboxamide Formula: C30H28FN5O2 MolecularWeight: 509.574023

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7)F

InChI

InChI=1S/C30H28FN5O2/c31-23-13-21(33-29(38)30-14-17-9-18(15-30)11-19(10-17)16-30)5-6-22(23)27-34-24-7-4-20(12-25(24)35-27)28(37)36-26-3-1-2-8-32-26/h1-8,12-13,17-19H,9-11,14-16H2,(H,33,38)(H,34,35)(H,32,36,37)