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

Systemtic Name: 4-oxidanyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]naphthalene-1,2-dione Openeye Name: 4-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]naphthalene-1,2-dione CAS Name: 4-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]naphthalene-1,2-dione IUPAC Name: 4-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]naphthalene-1,2-dione Traditional Name: 4-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperazino]-1,2-naphthoquinone Formula: C21H17F3N2O3 MolecularWeight: 402.36649

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=C(C4=CC=CC=C4C(=O)C3=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=C(C4=CC=CC=C4C(=O)C3=O)O

InChI

InChI=1S/C21H17F3N2O3/c22-21(23,24)13-4-3-5-14(12-13)25-8-10-26(11-9-25)17-18(27)15-6-1-2-7-16(15)19(28)20(17)29/h1-7,12,27H,8-11H2