2-[4-[[(3S,5R)-4-fluoranyl-1-adamantyl]carbonylamino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide

Systemtic Name: 2-[4-[[(3S,5R)-4-fluoranyl-1-adamantyl]carbonylamino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide Openeye Name: 2-[4-[[(3S,5R)-4-fluoroadamantane-1-carbonyl]amino]phenyl]-N-(2-pyridyl)-3H-benzimidazole-5-carboxamide CAS Name: 2-[4-[[[(3S,5R)-4-fluoro-1-adamantyl]-oxomethyl]amino]phenyl]-N-(2-pyridinyl)-3H-benzimidazole-5-carboxamide IUPAC Name: 2-[4-[[(3S,5R)-4-fluoroadamantane-1-carbonyl]amino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide Traditional Name: 2-[4-[[(3S,5R)-4-fluoroadamantane-1-carbonyl]amino]phenyl]-N-(2-pyridyl)-3H-benzimidazole-5-carboxamide Formula: C30H28FN5O2 MolecularWeight: 509.574023

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3F)C(=O)NC4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7

Isomeric SMILES

C1[C@@H]2CC3(C[C@@H](C2F)CC1C3)C(=O)NC4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7

InChI

InChI=1S/C30H28FN5O2/c31-26-20-11-17-12-21(26)16-30(14-17,15-20)29(38)33-22-7-4-18(5-8-22)27-34-23-9-6-19(13-24(23)35-27)28(37)36-25-3-1-2-10-32-25/h1-10,13,17,20-21,26H,11-12,14-16H2,(H,33,38)(H,34,35)(H,32,36,37)/t17?,20-,21+,26?,30?