6-[(4-bromanyl-2-chloranyl-phenyl)amino]-3-methyl-N-(3-phenylmethoxypropoxy)benzimidazole-5-carboxamide

Systemtic Name: 6-[(4-bromanyl-2-chloranyl-phenyl)amino]-3-methyl-N-(3-phenylmethoxypropoxy)benzimidazole-5-carboxamide Openeye Name: N-(3-benzyloxypropoxy)-6-(4-bromo-2-chloro-anilino)-3-methyl-benzimidazole-5-carboxamide CAS Name: 6-(4-bromo-2-chloroanilino)-3-methyl-N-(3-phenylmethoxypropoxy)-5-benzimidazolecarboxamide IUPAC Name: 6-(4-bromo-2-chloroanilino)-3-methyl-N-(3-phenylmethoxypropoxy)benzimidazole-5-carboxamide Traditional Name: N-(3-benzoxypropoxy)-6-(4-bromo-2-chloro-anilino)-3-methyl-benzimidazole-5-carboxamide Formula: C25H24BrClN4O3 MolecularWeight: 543.84006

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C=C(C(=C2)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCCOCC4=CC=CC=C4

Isomeric SMILES

CN1C=NC2=C1C=C(C(=C2)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCCOCC4=CC=CC=C4

InChI

InChI=1S/C25H24BrClN4O3/c1-31-16-28-23-14-22(29-21-9-8-18(26)12-20(21)27)19(13-24(23)31)25(32)30-34-11-5-10-33-15-17-6-3-2-4-7-17/h2-4,6-9,12-14,16,29H,5,10-11,15H2,1H3,(H,30,32)