1-[3-(1,3-benzodioxol-5-yl)-3-(2-fluoranyl-5-methyl-phenoxy)propyl]-4-phenyl-piperazine

Systemtic Name: 1-[3-(1,3-benzodioxol-5-yl)-3-(2-fluoranyl-5-methyl-phenoxy)propyl]-4-phenyl-piperazine Openeye Name: 1-[3-(1,3-benzodioxol-5-yl)-3-(2-fluoro-5-methyl-phenoxy)propyl]-4-phenyl-piperazine CAS Name: 1-[3-(1,3-benzodioxol-5-yl)-3-(2-fluoro-5-methylphenoxy)propyl]-4-phenylpiperazine IUPAC Name: 1-[3-(1,3-benzodioxol-5-yl)-3-(2-fluoro-5-methylphenoxy)propyl]-4-phenylpiperazine Traditional Name: 1-[3-(1,3-benzodioxol-5-yl)-3-(2-fluoro-5-methyl-phenoxy)propyl]-4-phenyl-piperazine Formula: C27H29FN2O3 MolecularWeight: 448.529163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)OC(CCN2CCN(CC2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=C(C=C1)F)OC(CCN2CCN(CC2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H29FN2O3/c1-20-7-9-23(28)26(17-20)33-24(21-8-10-25-27(18-21)32-19-31-25)11-12-29-13-15-30(16-14-29)22-5-3-2-4-6-22/h2-10,17-18,24H,11-16,19H2,1H3