7-(4-fluoranylphenoxy)-2-[4-(hydroxymethyl)phenyl]-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile

Systemtic Name: 7-(4-fluoranylphenoxy)-2-[4-(hydroxymethyl)phenyl]-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile Openeye Name: 7-(4-fluorophenoxy)-2-[4-(hydroxymethyl)phenyl]-2-isopropyl-6-piperazin-1-yl-heptanenitrile CAS Name: 7-(4-fluorophenoxy)-2-[4-(hydroxymethyl)phenyl]-6-(1-piperazinyl)-2-propan-2-ylheptanenitrile IUPAC Name: 7-(4-fluorophenoxy)-2-[4-(hydroxymethyl)phenyl]-6-piperazin-1-yl-2-propan-2-ylheptanenitrile Traditional Name: 7-(4-fluorophenoxy)-2-isopropyl-2-(4-methylolphenyl)-6-piperazino-enanthonitrile Formula: C27H36FN3O2 MolecularWeight: 453.592043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=CC=C(C=C1)F)N2CCNCC2)(C#N)C3=CC=C(C=C3)CO

Isomeric SMILES

CC(C)C(CCCC(COC1=CC=C(C=C1)F)N2CCNCC2)(C#N)C3=CC=C(C=C3)CO

InChI

InChI=1S/C27H36FN3O2/c1-21(2)27(20-29,23-7-5-22(18-32)6-8-23)13-3-4-25(31-16-14-30-15-17-31)19-33-26-11-9-24(28)10-12-26/h5-12,21,25,30,32H,3-4,13-19H2,1-2H3