2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide

Systemtic Name: 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide Openeye Name: 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide CAS Name: 2-[4-[(1-adamantylamino)-oxomethyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide IUPAC Name: 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide Traditional Name: 2-[4-(1-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)(C3)NC(=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)(C3)NC(=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)33-29(37)23-5-10-26-27(14-23)35-28(34-26)21-1-3-22(4-2-21)30(38)36-31-15-18-11-19(16-31)13-20(12-18)17-31/h1-10,14,18-20H,11-13,15-17H2,(H,33,37)(H,34,35)(H,36,38)