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

Systemtic Name: N-[4-[3-[3-(benzimidazol-1-yl)propylamino]-2-oxidanyl-propoxy]-2-methyl-phenyl]ethanamide Openeye Name: N-[4-[3-[3-(benzimidazol-1-yl)propylamino]-2-hydroxy-propoxy]-2-methyl-phenyl]acetamide CAS Name: N-[4-[3-[3-(1-benzimidazolyl)propylamino]-2-hydroxypropoxy]-2-methylphenyl]acetamide IUPAC Name: N-[4-[3-[3-(benzimidazol-1-yl)propylamino]-2-hydroxypropoxy]-2-methylphenyl]acetamide Traditional Name: N-[4-[3-[3-(benzimidazol-1-yl)propylamino]-2-hydroxy-propoxy]-2-methyl-phenyl]acetamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(CNCCCN2C=NC3=CC=CC=C32)O)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(CNCCCN2C=NC3=CC=CC=C32)O)NC(=O)C

InChI

InChI=1S/C22H28N4O3/c1-16-12-19(8-9-20(16)25-17(2)27)29-14-18(28)13-23-10-5-11-26-15-24-21-6-3-4-7-22(21)26/h3-4,6-9,12,15,18,23,28H,5,10-11,13-14H2,1-2H3,(H,25,27)