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

Systemtic Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[1-(4-methylphenyl)propoxy]benzenecarbonitrile Openeye Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[1-(p-tolyl)propoxy]benzonitrile CAS Name: 3-[4-(2-methoxyphenyl)-1-piperazinyl]-2-[1-(4-methylphenyl)propoxy]benzonitrile IUPAC Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[1-(4-methylphenyl)propoxy]benzonitrile Traditional Name: 3-[4-(2-methoxyphenyl)piperazino]-2-[1-(p-tolyl)propoxy]benzonitrile Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)OC2=C(C=CC=C2N3CCN(CC3)C4=CC=CC=C4OC)C#N

Isomeric SMILES

CCC(C1=CC=C(C=C1)C)OC2=C(C=CC=C2N3CCN(CC3)C4=CC=CC=C4OC)C#N

InChI

InChI=1S/C28H31N3O2/c1-4-26(22-14-12-21(2)13-15-22)33-28-23(20-29)8-7-10-25(28)31-18-16-30(17-19-31)24-9-5-6-11-27(24)32-3/h5-15,26H,4,16-19H2,1-3H3