3-[2-(2-dimethylaminoethyl)phenoxy]-1-(4-fluoranyl-2,5-dimethyl-phenyl)-1-piperazin-1-yl-propan-2-one

Systemtic Name: 3-[2-(2-dimethylaminoethyl)phenoxy]-1-(4-fluoranyl-2,5-dimethyl-phenyl)-1-piperazin-1-yl-propan-2-one Openeye Name: 3-[2-(2-dimethylaminoethyl)phenoxy]-1-(4-fluoro-2,5-dimethyl-phenyl)-1-piperazin-1-yl-propan-2-one CAS Name: 3-[2-(2-dimethylaminoethyl)phenoxy]-1-(4-fluoro-2,5-dimethylphenyl)-1-(1-piperazinyl)-2-propanone IUPAC Name: 3-[2-(2-dimethylaminoethyl)phenoxy]-1-(4-fluoro-2,5-dimethylphenyl)-1-piperazin-1-ylpropan-2-one Traditional Name: 3-[2-(2-dimethylaminoethyl)phenoxy]-1-(4-fluoro-2,5-dimethyl-phenyl)-1-piperazino-acetone Formula: C25H34FN3O2 MolecularWeight: 427.554763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C(=O)COC2=CC=CC=C2CCN(C)C)N3CCNCC3)C)F

Isomeric SMILES

CC1=CC(=C(C=C1C(C(=O)COC2=CC=CC=C2CCN(C)C)N3CCNCC3)C)F

InChI

InChI=1S/C25H34FN3O2/c1-18-16-22(26)19(2)15-21(18)25(29-13-10-27-11-14-29)23(30)17-31-24-8-6-5-7-20(24)9-12-28(3)4/h5-8,15-16,25,27H,9-14,17H2,1-4H3