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

Systemtic Name: 3-[1-(3-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]benzenecarbonitrile Openeye Name: 3-[1-(3-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]benzonitrile CAS Name: 3-[1-(3-fluorophenyl)-3-[4-(2-methoxyphenyl)-1-piperazinyl]propoxy]benzonitrile IUPAC Name: 3-[1-(3-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]benzonitrile Traditional Name: 3-[1-(3-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazino]propoxy]benzonitrile Formula: C27H28FN3O2 MolecularWeight: 445.528523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC(=CC=C3)F)OC4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC(=CC=C3)F)OC4=CC=CC(=C4)C#N

InChI

InChI=1S/C27H28FN3O2/c1-32-27-11-3-2-10-25(27)31-16-14-30(15-17-31)13-12-26(22-7-5-8-23(28)19-22)33-24-9-4-6-21(18-24)20-29/h2-11,18-19,26H,12-17H2,1H3