6-[(4-bromanyl-2-methyl-phenyl)amino]-7-fluoranyl-3-[4-(4-methylpiperazin-1-yl)butyl]benzimidazole-5-carboxylic acid

Systemtic Name: 6-[(4-bromanyl-2-methyl-phenyl)amino]-7-fluoranyl-3-[4-(4-methylpiperazin-1-yl)butyl]benzimidazole-5-carboxylic acid Openeye Name: 6-(4-bromo-2-methyl-anilino)-7-fluoro-3-[4-(4-methylpiperazin-1-yl)butyl]benzimidazole-5-carboxylic acid CAS Name: 6-(4-bromo-2-methylanilino)-7-fluoro-3-[4-(4-methyl-1-piperazinyl)butyl]-5-benzimidazolecarboxylic acid IUPAC Name: 6-(4-bromo-2-methylanilino)-7-fluoro-3-[4-(4-methylpiperazin-1-yl)butyl]benzimidazole-5-carboxylic acid Traditional Name: 6-(4-bromo-2-methyl-anilino)-7-fluoro-3-[4-(4-methylpiperazino)butyl]benzimidazole-5-carboxylic acid Formula: C24H29BrFN5O2 MolecularWeight: 518.421763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC2=C(C3=C(C=C2C(=O)O)N(C=N3)CCCCN4CCN(CC4)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC2=C(C3=C(C=C2C(=O)O)N(C=N3)CCCCN4CCN(CC4)C)F

InChI

InChI=1S/C24H29BrFN5O2/c1-16-13-17(25)5-6-19(16)28-22-18(24(32)33)14-20-23(21(22)26)27-15-31(20)8-4-3-7-30-11-9-29(2)10-12-30/h5-6,13-15,28H,3-4,7-12H2,1-2H3,(H,32,33)