2-[(6-bromanyl-1-butyl-2-methyl-indol-5-yl)oxymethyl]-1H-benzimidazole

Systemtic Name: 2-[(6-bromanyl-1-butyl-2-methyl-indol-5-yl)oxymethyl]-1H-benzimidazole Openeye Name: 2-[(6-bromo-1-butyl-2-methyl-indol-5-yl)oxymethyl]-1H-benzimidazole CAS Name: 2-[(6-bromo-1-butyl-2-methyl-5-indolyl)oxymethyl]-1H-benzimidazole IUPAC Name: 2-[(6-bromo-1-butyl-2-methylindol-5-yl)oxymethyl]-1H-benzimidazole Traditional Name: 2-[(6-bromo-1-butyl-2-methyl-indol-5-yl)oxymethyl]-1H-benzimidazole Formula: C21H22BrN3O MolecularWeight: 412.32288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC2=CC(=C(C=C21)Br)OCC3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CCCCN1C(=CC2=CC(=C(C=C21)Br)OCC3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C21H22BrN3O/c1-3-4-9-25-14(2)10-15-11-20(16(22)12-19(15)25)26-13-21-23-17-7-5-6-8-18(17)24-21/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,23,24)