[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(4-bromo-2-fluoro-phenyl)carbamoyl]propyl 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-(4-bromo-2-fluoroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-bromo-2-fluoroanilino)-1-oxobutan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid 1-[(4-bromo-2-fluoro-phenyl)carbamoyl]propyl ester Formula: C23H18BrFN4O3 MolecularWeight: 497.316423

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

InChI

InChI=1S/C23H18BrFN4O3/c1-2-20(22(30)29-17-8-6-15(24)11-16(17)25)32-23(31)13-5-7-18-19(10-13)28-21(27-18)14-4-3-9-26-12-14/h3-12,20H,2H2,1H3,(H,27,28)(H,29,30)