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

Systemtic Name: 2-[4-(1-adamantylcarbonylamino)phenyl]-N-(4-azidophenyl)-3H-benzimidazole-5-carboxamide Openeye Name: 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(4-azidophenyl)-3H-benzimidazole-5-carboxamide CAS Name: 2-[4-[[1-adamantyl(oxo)methyl]amino]phenyl]-N-(4-azidophenyl)-3H-benzimidazole-5-carboxamide IUPAC Name: 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(4-azidophenyl)-3H-benzimidazole-5-carboxamide Traditional Name: 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(4-azidophenyl)-3H-benzimidazole-5-carboxamide Formula: C31H29N7O2 MolecularWeight: 531.60766

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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)N=[N+]=[N-]

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)N=[N+]=[N-]

InChI

InChI=1S/C31H29N7O2/c32-38-37-25-8-6-23(7-9-25)33-29(39)22-3-10-26-27(14-22)36-28(35-26)21-1-4-24(5-2-21)34-30(40)31-15-18-11-19(16-31)13-20(12-18)17-31/h1-10,14,18-20H,11-13,15-17H2,(H,33,39)(H,34,40)(H,35,36)