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

Systemtic Name: N-[4-[3-[3-(benzimidazol-1-yl)propylamino]-2-oxidanyl-propoxy]-3-chloranyl-phenyl]ethanamide Openeye Name: N-[4-[3-[3-(benzimidazol-1-yl)propylamino]-2-hydroxy-propoxy]-3-chloro-phenyl]acetamide CAS Name: N-[4-[3-[3-(1-benzimidazolyl)propylamino]-2-hydroxypropoxy]-3-chlorophenyl]acetamide IUPAC Name: N-[4-[3-[3-(benzimidazol-1-yl)propylamino]-2-hydroxypropoxy]-3-chlorophenyl]acetamide Traditional Name: N-[4-[3-[3-(benzimidazol-1-yl)propylamino]-2-hydroxy-propoxy]-3-chloro-phenyl]acetamide Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OCC(CNCCCN2C=NC3=CC=CC=C32)O)Cl

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OCC(CNCCCN2C=NC3=CC=CC=C32)O)Cl

InChI

InChI=1S/C21H25ClN4O3/c1-15(27)25-16-7-8-21(18(22)11-16)29-13-17(28)12-23-9-4-10-26-14-24-19-5-2-3-6-20(19)26/h2-3,5-8,11,14,17,23,28H,4,9-10,12-13H2,1H3,(H,25,27)