3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-fluorophenyl)-phenyl-methyl]-3-methyl-piperazine

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-fluorophenyl)-phenyl-methyl]-3-methyl-piperazine Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-fluorophenyl)-phenyl-methyl]-3-methyl-piperazine CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-fluorophenyl)-phenylmethyl]-3-methylpiperazine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-fluorophenyl)-phenylmethyl]-3-methylpiperazine Traditional Name: 1-[(4-fluorophenyl)-phenyl-methyl]-3-methyl-3-piperonyl-piperazine Formula: C26H27FN2O2 MolecularWeight: 418.503183

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)F)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1(CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)F)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H27FN2O2/c1-26(16-19-7-12-23-24(15-19)31-18-30-23)17-29(14-13-28-26)25(20-5-3-2-4-6-20)21-8-10-22(27)11-9-21/h2-12,15,25,28H,13-14,16-18H2,1H3