3-[1-(1,3-benzodioxol-5-yl)-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]benzenecarbonitrile

Systemtic Name: 3-[1-(1,3-benzodioxol-5-yl)-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]benzenecarbonitrile Openeye Name: 3-[1-(1,3-benzodioxol-5-yl)-3-[4-(o-tolyl)piperazin-1-yl]propoxy]benzonitrile CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-3-[4-(2-methylphenyl)-1-piperazinyl]propoxy]benzonitrile IUPAC Name: 3-[1-(1,3-benzodioxol-5-yl)-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]benzonitrile Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)-3-[4-(o-tolyl)piperazino]propoxy]benzonitrile Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC4=C(C=C3)OCO4)OC5=CC=CC(=C5)C#N

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC4=C(C=C3)OCO4)OC5=CC=CC(=C5)C#N

InChI

InChI=1S/C28H29N3O3/c1-21-5-2-3-8-25(21)31-15-13-30(14-16-31)12-11-26(34-24-7-4-6-22(17-24)19-29)23-9-10-27-28(18-23)33-20-32-27/h2-10,17-18,26H,11-16,20H2,1H3