2-[4-[3-[3-(benzimidazol-1-yl)propylamino]-2-oxidanyl-propoxy]-3-bromanyl-phenyl]ethanamide

Systemtic Name: 2-[4-[3-[3-(benzimidazol-1-yl)propylamino]-2-oxidanyl-propoxy]-3-bromanyl-phenyl]ethanamide Openeye Name: 2-[4-[3-[3-(benzimidazol-1-yl)propylamino]-2-hydroxy-propoxy]-3-bromo-phenyl]acetamide CAS Name: 2-[4-[3-[3-(1-benzimidazolyl)propylamino]-2-hydroxypropoxy]-3-bromophenyl]acetamide IUPAC Name: 2-[4-[3-[3-(benzimidazol-1-yl)propylamino]-2-hydroxypropoxy]-3-bromophenyl]acetamide Traditional Name: 2-[4-[3-[3-(benzimidazol-1-yl)propylamino]-2-hydroxy-propoxy]-3-bromo-phenyl]acetamide Formula: C21H25BrN4O3 MolecularWeight: 461.3522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2CCCNCC(COC3=C(C=C(C=C3)CC(=O)N)Br)O

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2CCCNCC(COC3=C(C=C(C=C3)CC(=O)N)Br)O

InChI

InChI=1S/C21H25BrN4O3/c22-17-10-15(11-21(23)28)6-7-20(17)29-13-16(27)12-24-8-3-9-26-14-25-18-4-1-2-5-19(18)26/h1-2,4-7,10,14,16,24,27H,3,8-9,11-13H2,(H2,23,28)