2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide

Systemtic Name: 2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide Openeye Name: 2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide CAS Name: 2-[4-[(2-adamantylamino)-oxomethyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide IUPAC Name: 2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide Traditional Name: 2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide Formula: C31H29FN4O2 MolecularWeight: 508.585963

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=C(C=C7)F

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=C(C=C7)F

InChI

InChI=1S/C31H29FN4O2/c32-24-6-8-25(9-7-24)33-31(38)21-5-10-26-27(16-21)35-29(34-26)19-1-3-20(4-2-19)30(37)36-28-22-12-17-11-18(14-22)15-23(28)13-17/h1-10,16-18,22-23,28H,11-15H2,(H,33,38)(H,34,35)(H,36,37)