7-(4-fluoranylphenoxy)-2-(4-methoxyphenyl)-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile

Systemtic Name: 7-(4-fluoranylphenoxy)-2-(4-methoxyphenyl)-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile Openeye Name: 7-(4-fluorophenoxy)-2-isopropyl-2-(4-methoxyphenyl)-6-piperazin-1-yl-heptanenitrile CAS Name: 7-(4-fluorophenoxy)-2-(4-methoxyphenyl)-6-(1-piperazinyl)-2-propan-2-ylheptanenitrile IUPAC Name: 7-(4-fluorophenoxy)-2-(4-methoxyphenyl)-6-piperazin-1-yl-2-propan-2-ylheptanenitrile Traditional Name: 7-(4-fluorophenoxy)-2-isopropyl-2-(4-methoxyphenyl)-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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H36FN3O2/c1-21(2)27(20-29,22-6-10-25(32-3)11-7-22)14-4-5-24(31-17-15-30-16-18-31)19-33-26-12-8-23(28)9-13-26/h6-13,21,24,30H,4-5,14-19H2,1-3H3