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

Systemtic Name: 3-[1-(4-fluorophenyl)-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]benzenecarbonitrile Openeye Name: 3-[1-(4-fluorophenyl)-3-[4-(o-tolyl)piperazin-1-yl]propoxy]benzonitrile CAS Name: 3-[1-(4-fluorophenyl)-3-[4-(2-methylphenyl)-1-piperazinyl]propoxy]benzonitrile IUPAC Name: 3-[1-(4-fluorophenyl)-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]benzonitrile Traditional Name: 3-[1-(4-fluorophenyl)-3-[4-(o-tolyl)piperazino]propoxy]benzonitrile Formula: C27H28FN3O MolecularWeight: 429.529123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC=C(C=C3)F)OC4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC=C(C=C3)F)OC4=CC=CC(=C4)C#N

InChI

InChI=1S/C27H28FN3O/c1-21-5-2-3-8-26(21)31-17-15-30(16-18-31)14-13-27(23-9-11-24(28)12-10-23)32-25-7-4-6-22(19-25)20-29/h2-12,19,27H,13-18H2,1H3