7-(4-fluoranylphenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-8-propoxy-octanenitrile

Systemtic Name: 7-(4-fluoranylphenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-8-propoxy-octanenitrile Openeye Name: 7-(4-fluorophenoxy)-2-isopropyl-2-phenyl-6-piperazin-1-yl-8-propoxy-octanenitrile CAS Name: 7-(4-fluorophenoxy)-2-phenyl-6-(1-piperazinyl)-2-propan-2-yl-8-propoxyoctanenitrile IUPAC Name: 7-(4-fluorophenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-8-propoxyoctanenitrile Traditional Name: 7-(4-fluorophenoxy)-2-isopropyl-2-phenyl-6-piperazino-8-propoxy-caprylonitrile Formula: C30H42FN3O2 MolecularWeight: 495.671783

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC(C(CCCC(C#N)(C1=CC=CC=C1)C(C)C)N2CCNCC2)OC3=CC=C(C=C3)F

Isomeric SMILES

CCCOCC(C(CCCC(C#N)(C1=CC=CC=C1)C(C)C)N2CCNCC2)OC3=CC=C(C=C3)F

InChI

InChI=1S/C30H42FN3O2/c1-4-21-35-22-29(36-27-14-12-26(31)13-15-27)28(34-19-17-33-18-20-34)11-8-16-30(23-32,24(2)3)25-9-6-5-7-10-25/h5-7,9-10,12-15,24,28-29,33H,4,8,11,16-22H2,1-3H3