1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-(4-phenylazanylphenoxy)ethanone

Systemtic Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-(4-phenylazanylphenoxy)ethanone Openeye Name: 2-(4-anilinophenoxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]ethanone CAS Name: 2-(4-anilinophenoxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-anilinophenoxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone Traditional Name: 2-(4-anilinophenoxy)-1-[4-(4-fluorobenzyl)-2,5-dimethyl-piperazino]ethanone Formula: C27H30FN3O2 MolecularWeight: 447.544403

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)COC2=CC=C(C=C2)NC3=CC=CC=C3)C)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1CN(C(CN1C(=O)COC2=CC=C(C=C2)NC3=CC=CC=C3)C)CC4=CC=C(C=C4)F

InChI

InChI=1S/C27H30FN3O2/c1-20-17-31(21(2)16-30(20)18-22-8-10-23(28)11-9-22)27(32)19-33-26-14-12-25(13-15-26)29-24-6-4-3-5-7-24/h3-15,20-21,29H,16-19H2,1-2H3