4-[4-[3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-1-(3-methoxyphenyl)cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-[3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-1-(3-methoxyphenyl)cyclohexane-1-carbonitrile Openeye Name: 4-[4-[3-(4-fluorophenoxy)-2-hydroxy-propyl]piperazin-1-yl]-1-(3-methoxyphenyl)cyclohexanecarbonitrile CAS Name: 4-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-piperazinyl]-1-(3-methoxyphenyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-1-(3-methoxyphenyl)cyclohexane-1-carbonitrile Traditional Name: 4-[4-[3-(4-fluorophenoxy)-2-hydroxy-propyl]piperazino]-1-(3-methoxyphenyl)cyclohexanecarbonitrile Formula: C27H34FN3O3 MolecularWeight: 467.575563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCC(CC2)N3CCN(CC3)CC(COC4=CC=C(C=C4)F)O)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCC(CC2)N3CCN(CC3)CC(COC4=CC=C(C=C4)F)O)C#N

InChI

InChI=1S/C27H34FN3O3/c1-33-26-4-2-3-21(17-26)27(20-29)11-9-23(10-12-27)31-15-13-30(14-16-31)18-24(32)19-34-25-7-5-22(28)6-8-25/h2-8,17,23-24,32H,9-16,18-19H2,1H3