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

Systemtic Name: 2-[4-(1-adamantylcarbonylamino)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide Openeye Name: 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide CAS Name: 2-[4-[[1-adamantyl(oxo)methyl]amino]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide IUPAC Name: 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide Traditional Name: 2-[4-(adamantane-1-carbonylamino)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)C(=O)NC4=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)C(=O)NC4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=C(C=C7)F

InChI

InChI=1S/C31H29FN4O2/c32-23-4-8-24(9-5-23)33-29(37)22-3-10-26-27(14-22)36-28(35-26)21-1-6-25(7-2-21)34-30(38)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,34,38)(H,35,36)