[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C22H17FN4O3 MolecularWeight: 404.393783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OCC(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC(=CN=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OCC(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FN4O3/c23-17-6-3-14(4-7-17)11-25-20(28)13-30-22(29)15-5-8-18-19(10-15)27-21(26-18)16-2-1-9-24-12-16/h1-10,12H,11,13H2,(H,25,28)(H,26,27)