6-[(4-bromanyl-2-methyl-phenyl)amino]-N-(cyclopropylmethoxy)-7-fluoranyl-3-(3-piperazin-1-ylpropyl)benzimidazole-5-carboxamide

Systemtic Name: 6-[(4-bromanyl-2-methyl-phenyl)amino]-N-(cyclopropylmethoxy)-7-fluoranyl-3-(3-piperazin-1-ylpropyl)benzimidazole-5-carboxamide Openeye Name: 6-(4-bromo-2-methyl-anilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(3-piperazin-1-ylpropyl)benzimidazole-5-carboxamide CAS Name: 6-(4-bromo-2-methylanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[3-(1-piperazinyl)propyl]-5-benzimidazolecarboxamide IUPAC Name: 6-(4-bromo-2-methylanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(3-piperazin-1-ylpropyl)benzimidazole-5-carboxamide Traditional Name: 6-(4-bromo-2-methyl-anilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(3-piperazinopropyl)benzimidazole-5-carboxamide Formula: C26H32BrFN6O2 MolecularWeight: 559.473683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC2=C(C3=C(C=C2C(=O)NOCC4CC4)N(C=N3)CCCN5CCNCC5)F

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC2=C(C3=C(C=C2C(=O)NOCC4CC4)N(C=N3)CCCN5CCNCC5)F

InChI

InChI=1S/C26H32BrFN6O2/c1-17-13-19(27)5-6-21(17)31-24-20(26(35)32-36-15-18-3-4-18)14-22-25(23(24)28)30-16-34(22)10-2-9-33-11-7-29-8-12-33/h5-6,13-14,16,18,29,31H,2-4,7-12,15H2,1H3,(H,32,35)