methyl 6-[(4-bromanyl-2-methyl-phenyl)amino]-3-(2-cyanoethyl)-7-fluoranyl-benzimidazole-5-carboxylate

Systemtic Name: methyl 6-[(4-bromanyl-2-methyl-phenyl)amino]-3-(2-cyanoethyl)-7-fluoranyl-benzimidazole-5-carboxylate Openeye Name: methyl 6-(4-bromo-2-methyl-anilino)-3-(2-cyanoethyl)-7-fluoro-benzimidazole-5-carboxylate CAS Name: 6-(4-bromo-2-methylanilino)-3-(2-cyanoethyl)-7-fluoro-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 6-(4-bromo-2-methylanilino)-3-(2-cyanoethyl)-7-fluorobenzimidazole-5-carboxylate Traditional Name: 6-(4-bromo-2-methyl-anilino)-3-(2-cyanoethyl)-7-fluoro-benzimidazole-5-carboxylic acid methyl ester Formula: C19H16BrFN4O2 MolecularWeight: 431.258343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC2=C(C3=C(C=C2C(=O)OC)N(C=N3)CCC#N)F

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC2=C(C3=C(C=C2C(=O)OC)N(C=N3)CCC#N)F

InChI

InChI=1S/C19H16BrFN4O2/c1-11-8-12(20)4-5-14(11)24-17-13(19(26)27-2)9-15-18(16(17)21)23-10-25(15)7-3-6-22/h4-5,8-10,24H,3,7H2,1-2H3