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

Systemtic Name: [5-nitro-2-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl] adamantane-1-carboxylate Openeye Name: [5-nitro-2-[6-(2-pyridylcarbamoyl)-1H-benzimidazol-2-yl]phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [5-nitro-2-[6-[oxo-(2-pyridinylamino)methyl]-1H-benzimidazol-2-yl]phenyl] ester IUPAC Name: [5-nitro-2-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [5-nitro-2-[6-(2-pyridylcarbamoyl)-1H-benzimidazol-2-yl]phenyl] ester Formula: C30H27N5O5 MolecularWeight: 537.56588

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OC4=C(C=CC(=C4)[N+](=O)[O-])C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OC4=C(C=CC(=C4)[N+](=O)[O-])C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7

InChI

InChI=1S/C30H27N5O5/c36-28(34-26-3-1-2-8-31-26)20-4-7-23-24(12-20)33-27(32-23)22-6-5-21(35(38)39)13-25(22)40-29(37)30-14-17-9-18(15-30)11-19(10-17)16-30/h1-8,12-13,17-19H,9-11,14-16H2,(H,32,33)(H,31,34,36)