[1-[(2-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(2-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: [2-(2-bromoanilino)-1-methyl-2-oxo-ethyl] 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-(2-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-bromoanilino)-1-oxopropan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid [2-(2-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H17BrN4O3 MolecularWeight: 465.29938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1Br)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1Br)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

InChI

InChI=1S/C22H17BrN4O3/c1-13(21(28)27-17-7-3-2-6-16(17)23)30-22(29)14-8-9-18-19(11-14)26-20(25-18)15-5-4-10-24-12-15/h2-13H,1H3,(H,25,26)(H,27,28)