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

Systemtic Name: [5-azanyl-2-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl] adamantane-1-carboxylate Openeye Name: [5-amino-2-[6-(2-pyridylcarbamoyl)-1H-benzimidazol-2-yl]phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [5-amino-2-[6-[oxo-(2-pyridinylamino)methyl]-1H-benzimidazol-2-yl]phenyl] ester IUPAC Name: [5-amino-2-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [5-amino-2-[6-(2-pyridylcarbamoyl)-1H-benzimidazol-2-yl]phenyl] ester Formula: C30H29N5O3 MolecularWeight: 507.58296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H29N5O3/c31-21-5-6-22(25(13-21)38-29(37)30-14-17-9-18(15-30)11-19(10-17)16-30)27-33-23-7-4-20(12-24(23)34-27)28(36)35-26-3-1-2-8-32-26/h1-8,12-13,17-19H,9-11,14-16,31H2,(H,33,34)(H,32,35,36)