2-[3-[3-(benzimidazol-1-yl)propylamino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 2-[3-[3-(benzimidazol-1-yl)propylamino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 2-[3-[3-(benzimidazol-1-yl)propylamino]-2-hydroxy-propoxy]benzonitrile CAS Name: 2-[3-[3-(1-benzimidazolyl)propylamino]-2-hydroxypropoxy]benzonitrile IUPAC Name: 2-[3-[3-(benzimidazol-1-yl)propylamino]-2-hydroxypropoxy]benzonitrile Traditional Name: 2-[3-[3-(benzimidazol-1-yl)propylamino]-2-hydroxy-propoxy]benzonitrile Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)OCC(CNCCCN2C=NC3=CC=CC=C32)O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)OCC(CNCCCN2C=NC3=CC=CC=C32)O

InChI

InChI=1S/C20H22N4O2/c21-12-16-6-1-4-9-20(16)26-14-17(25)13-22-10-5-11-24-15-23-18-7-2-3-8-19(18)24/h1-4,6-9,15,17,22,25H,5,10-11,13-14H2