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

Systemtic Name: 7-(4-fluoranylphenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-8-prop-2-enoxy-octanenitrile Openeye Name: 8-allyloxy-7-(4-fluorophenoxy)-2-isopropyl-2-phenyl-6-piperazin-1-yl-octanenitrile CAS Name: 7-(4-fluorophenoxy)-2-phenyl-6-(1-piperazinyl)-2-propan-2-yl-8-prop-2-enoxyoctanenitrile IUPAC Name: 7-(4-fluorophenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-8-prop-2-enoxyoctanenitrile Traditional Name: 8-allyloxy-7-(4-fluorophenoxy)-2-isopropyl-2-phenyl-6-piperazino-caprylonitrile Formula: C30H40FN3O2 MolecularWeight: 493.655903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(C(COCC=C)OC1=CC=C(C=C1)F)N2CCNCC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCC(C(COCC=C)OC1=CC=C(C=C1)F)N2CCNCC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C30H40FN3O2/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/h4-7,9-10,12-15,24,28-29,33H,1,8,11,16-22H2,2-3H3