(5-aminocarbonyl-1H-imidazol-4-yl) 3-(4-chlorophenyl)adamantane-1-carboxylate

Systemtic Name: (5-aminocarbonyl-1H-imidazol-4-yl) 3-(4-chlorophenyl)adamantane-1-carboxylate Openeye Name: (5-carbamoyl-1H-imidazol-4-yl) 3-(4-chlorophenyl)adamantane-1-carboxylate CAS Name: 3-(4-chlorophenyl)-1-adamantanecarboxylic acid (5-carbamoyl-1H-imidazol-4-yl) ester IUPAC Name: (5-carbamoyl-1H-imidazol-4-yl) 3-(4-chlorophenyl)adamantane-1-carboxylate Traditional Name: 3-(4-chlorophenyl)adamantane-1-carboxylic acid (5-carbamoyl-1H-imidazol-4-yl) ester Formula: C21H22ClN3O3 MolecularWeight: 399.87068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)OC4=C(NC=N4)C(=O)N)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C(=O)OC4=C(NC=N4)C(=O)N)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C21H22ClN3O3/c22-15-3-1-14(2-4-15)20-6-12-5-13(7-20)9-21(8-12,10-20)19(27)28-18-16(17(23)26)24-11-25-18/h1-4,11-13H,5-10H2,(H2,23,26)(H,24,25)