ethanedioic acid; 2-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone

Systemtic Name: ethanedioic acid; 2-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone Openeye Name: oxalic acid; 2-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone CAS Name: oxalic acid; 2-(4-phenyl-1-piperazinyl)-1-[2-(trifluoromethyl)-10-phenothiazinyl]ethanone IUPAC Name: oxalic acid; 2-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone Traditional Name: oxalic acid; 2-(4-phenylpiperazino)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone Formula: C27H24F3N3O5S MolecularWeight: 559.55677

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H22F3N3OS.C2H2O4/c26-25(27,28)18-10-11-23-21(16-18)31(20-8-4-5-9-22(20)33-23)24(32)17-29-12-14-30(15-13-29)19-6-2-1-3-7-19;3-1(4)2(5)6/h1-11,16H,12-15,17H2;(H,3,4)(H,5,6)