N-[2-[4-[6-(1-adamantylcarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide

Systemtic Name: N-[2-[4-[6-(1-adamantylcarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide Openeye Name: N-[2-[4-[6-(adamantane-1-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide CAS Name: N-[2-[4-[6-[[1-adamantyl(oxo)methyl]amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1-adamantanecarboxamide IUPAC Name: N-[2-[4-[6-(adamantane-1-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide Traditional Name: N-[2-[4-[6-(adamantane-1-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide Formula: C42H44N6O2 MolecularWeight: 664.83776

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)C7=NC8=C(N7)C=C(C=C8)NC(=O)C91CC2CC(C9)CC(C2)C1

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)C7=NC8=C(N7)C=C(C=C8)NC(=O)C91CC2CC(C9)CC(C2)C1

InChI

InChI=1S/C42H44N6O2/c49-39(41-17-23-9-24(18-41)11-25(10-23)19-41)43-31-5-7-33-35(15-31)47-37(45-33)29-1-2-30(4-3-29)38-46-34-8-6-32(16-36(34)48-38)44-40(50)42-20-26-12-27(21-42)14-28(13-26)22-42/h1-8,15-16,23-28H,9-14,17-22H2,(H,43,49)(H,44,50)(H,45,47)(H,46,48)