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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C2=CC=C(C=C2)C(F)(F)F)C3=C(C4=CC=CC=C4C(=O)C3=O)O

Isomeric SMILES

C1CN(CC(N1)C2=CC=C(C=C2)C(F)(F)F)C3=C(C4=CC=CC=C4C(=O)C3=O)O

InChI

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