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

Systemtic Name: 4-[4-[3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-1-(2-methylphenyl)cyclohexane-1-carbonitrile Openeye Name: 4-[4-[3-(4-fluorophenoxy)-2-hydroxy-propyl]piperazin-1-yl]-1-(o-tolyl)cyclohexanecarbonitrile CAS Name: 4-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-piperazinyl]-1-(2-methylphenyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-1-(2-methylphenyl)cyclohexane-1-carbonitrile Traditional Name: 4-[4-[3-(4-fluorophenoxy)-2-hydroxy-propyl]piperazino]-1-(o-tolyl)cyclohexanecarbonitrile Formula: C27H34FN3O2 MolecularWeight: 451.576163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(CCC(CC2)N3CCN(CC3)CC(COC4=CC=C(C=C4)F)O)C#N

Isomeric SMILES

CC1=CC=CC=C1C2(CCC(CC2)N3CCN(CC3)CC(COC4=CC=C(C=C4)F)O)C#N

InChI

InChI=1S/C27H34FN3O2/c1-21-4-2-3-5-26(21)27(20-29)12-10-23(11-13-27)31-16-14-30(15-17-31)18-24(32)19-33-25-8-6-22(28)7-9-25/h2-9,23-24,32H,10-19H2,1H3