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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CCN2CCN(CC2)C3=CC=C(C=C3)F)OC4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(CCN2CCN(CC2)C3=CC=C(C=C3)F)OC4=CC=CC(=C4)C#N

InChI

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