[5-(1-adamantylcarbonylamino)-3-methoxy-2-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl] adamantane-1-carboxylate

Systemtic Name: [5-(1-adamantylcarbonylamino)-3-methoxy-2-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl] adamantane-1-carboxylate Openeye Name: [5-(adamantane-1-carbonylamino)-3-methoxy-2-[6-(2-pyridylcarbamoyl)-1H-benzimidazol-2-yl]phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [5-[[1-adamantyl(oxo)methyl]amino]-3-methoxy-2-[6-[oxo-(2-pyridinylamino)methyl]-1H-benzimidazol-2-yl]phenyl] ester IUPAC Name: [5-(adamantane-1-carbonylamino)-3-methoxy-2-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [5-(adamantane-1-carbonylamino)-3-methoxy-2-[6-(2-pyridylcarbamoyl)-1H-benzimidazol-2-yl]phenyl] ester Formula: C42H45N5O5 MolecularWeight: 699.8372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1C2=NC3=C(N2)C=C(C=C3)C(=O)NC4=CC=CC=N4)OC(=O)C56CC7CC(C5)CC(C7)C6)NC(=O)C89CC1CC(C8)CC(C1)C9

Isomeric SMILES

COC1=CC(=CC(=C1C2=NC3=C(N2)C=C(C=C3)C(=O)NC4=CC=CC=N4)OC(=O)C56CC7CC(C5)CC(C7)C6)NC(=O)C89CC1CC(C8)CC(C1)C9

InChI

InChI=1S/C42H45N5O5/c1-51-33-15-30(44-39(49)41-17-23-8-24(18-41)10-25(9-23)19-41)16-34(52-40(50)42-20-26-11-27(21-42)13-28(12-26)22-42)36(33)37-45-31-6-5-29(14-32(31)46-37)38(48)47-35-4-2-3-7-43-35/h2-7,14-16,23-28H,8-13,17-22H2,1H3,(H,44,49)(H,45,46)(H,43,47,48)