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

Systemtic Name: 2-[4-[[(3R,5S)-4-methoxyimino-1-adamantyl]carbonylamino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide Openeye Name: 2-[4-[[(3R,5S)-4-methoxyiminoadamantane-1-carbonyl]amino]phenyl]-N-(2-pyridyl)-3H-benzimidazole-5-carboxamide CAS Name: 2-[4-[[[(3R,5S)-4-methoxyimino-1-adamantyl]-oxomethyl]amino]phenyl]-N-(2-pyridinyl)-3H-benzimidazole-5-carboxamide IUPAC Name: 2-[4-[[(3R,5S)-4-methoxyiminoadamantane-1-carbonyl]amino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide Traditional Name: 2-[4-[[(3R,5S)-4-methyloximinoadamantane-1-carbonyl]amino]phenyl]-N-(2-pyridyl)-3H-benzimidazole-5-carboxamide Formula: C31H30N6O3 MolecularWeight: 534.6083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CON=C1[C@@H]2CC3C[C@H]1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7

InChI

InChI=1S/C31H30N6O3/c1-40-37-27-21-12-18-13-22(27)17-31(15-18,16-21)30(39)33-23-8-5-19(6-9-23)28-34-24-10-7-20(14-25(24)35-28)29(38)36-26-4-2-3-11-32-26/h2-11,14,18,21-22H,12-13,15-17H2,1H3,(H,33,39)(H,34,35)(H,32,36,38)/t18?,21-,22+,31?