3-[3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]propanenitrile

Systemtic Name: 3-[3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]propanenitrile Openeye Name: 3-[3-[4-(o-tolyl)piperazin-1-yl]propoxy]propanenitrile CAS Name: 3-[3-[4-(2-methylphenyl)-1-piperazinyl]propoxy]propanenitrile IUPAC Name: 3-[3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]propanenitrile Traditional Name: 3-[3-[4-(o-tolyl)piperazino]propoxy]propionitrile Formula: C17H25N3O MolecularWeight: 287.3999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CCCOCCC#N

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CCCOCCC#N

InChI

InChI=1S/C17H25N3O/c1-16-6-2-3-7-17(16)20-12-10-19(11-13-20)9-5-15-21-14-4-8-18/h2-3,6-7H,4-5,9-15H2,1H3