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

Systemtic Name: [1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(4-bromo-2-fluoro-phenyl)carbamoyl]propyl 2-(p-tolyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methylphenyl)-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-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(p-tolyl)-3H-benzimidazole-5-carboxylic acid 1-[(4-bromo-2-fluoro-phenyl)carbamoyl]propyl ester Formula: C25H21BrFN3O3 MolecularWeight: 510.354943

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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=CC=C(C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C25H21BrFN3O3/c1-3-22(24(31)30-19-11-9-17(26)13-18(19)27)33-25(32)16-8-10-20-21(12-16)29-23(28-20)15-6-4-14(2)5-7-15/h4-13,22H,3H2,1-2H3,(H,28,29)(H,30,31)