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

Systemtic Name: [1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(3-chloro-4-fluoro-phenyl)carbamoyl]propyl 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-(3-chloro-4-fluoroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(3-chloro-4-fluoroanilino)-1-oxobutan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid 1-[(3-chloro-4-fluoro-phenyl)carbamoyl]propyl ester Formula: C23H18ClFN4O3 MolecularWeight: 452.865423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18ClFN4O3/c1-2-20(22(30)27-15-6-7-17(25)16(24)11-15)32-23(31)13-5-8-18-19(10-13)29-21(28-18)14-4-3-9-26-12-14/h3-12,20H,2H2,1H3,(H,27,30)(H,28,29)