[1-[(4-iodophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(4-iodophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: [2-(4-iodoanilino)-1-methyl-2-oxo-ethyl] 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-(4-iodoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-iodoanilino)-1-oxopropan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid [2-(4-iodoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H17IN4O3 MolecularWeight: 512.29985

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)I)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)I)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

InChI

InChI=1S/C22H17IN4O3/c1-13(21(28)25-17-7-5-16(23)6-8-17)30-22(29)14-4-9-18-19(11-14)27-20(26-18)15-3-2-10-24-12-15/h2-13H,1H3,(H,25,28)(H,26,27)