2-methyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]naphthalene-1,4-dione

Systemtic Name: 2-methyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]naphthalene-1,4-dione Openeye Name: 2-methyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]naphthalene-1,4-dione CAS Name: 2-methyl-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]naphthalene-1,4-dione IUPAC Name: 2-methyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]naphthalene-1,4-dione Traditional Name: 2-methyl-3-[4-[3-(trifluoromethyl)phenyl]piperazino]-1,4-naphthoquinone Formula: C22H19F3N2O2 MolecularWeight: 400.39367

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2C1=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H19F3N2O2/c1-14-19(21(29)18-8-3-2-7-17(18)20(14)28)27-11-9-26(10-12-27)16-6-4-5-15(13-16)22(23,24)25/h2-8,13H,9-12H2,1H3