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

Systemtic Name: 4-[3-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[2-hydroxy-3-[4-(m-tolyl)piperazin-1-yl]propoxy]benzonitrile CAS Name: 4-[2-hydroxy-3-[4-(3-methylphenyl)-1-piperazinyl]propoxy]benzonitrile IUPAC Name: 4-[2-hydroxy-3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]benzonitrile Traditional Name: 4-[2-hydroxy-3-[4-(m-tolyl)piperazino]propoxy]benzonitrile Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)C#N)O

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C21H25N3O2/c1-17-3-2-4-19(13-17)24-11-9-23(10-12-24)15-20(25)16-26-21-7-5-18(14-22)6-8-21/h2-8,13,20,25H,9-12,15-16H2,1H3