9-(4-butyl-1-oxidanylidene-2-piperazin-1-yl-phthalazin-5-yl)-N-[2,2,2-tris(fluoranyl)ethyl]xanthene-9-carboxamide

Systemtic Name: 9-(4-butyl-1-oxidanylidene-2-piperazin-1-yl-phthalazin-5-yl)-N-[2,2,2-tris(fluoranyl)ethyl]xanthene-9-carboxamide Openeye Name: 9-(4-butyl-1-oxo-2-piperazin-1-yl-phthalazin-5-yl)-N-(2,2,2-trifluoroethyl)xanthene-9-carboxamide CAS Name: 9-[4-butyl-1-oxo-2-(1-piperazinyl)-5-phthalazinyl]-N-(2,2,2-trifluoroethyl)-9-xanthenecarboxamide IUPAC Name: 9-(4-butyl-1-oxo-2-piperazin-1-ylphthalazin-5-yl)-N-(2,2,2-trifluoroethyl)xanthene-9-carboxamide Traditional Name: 9-(4-butyl-1-keto-2-piperazino-phthalazin-5-yl)-N-(2,2,2-trifluoroethyl)xanthene-9-carboxamide Formula: C32H32F3N5O3 MolecularWeight: 591.62339

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)C2=C1C(=CC=C2)C3(C4=CC=CC=C4OC5=CC=CC=C53)C(=O)NCC(F)(F)F)N6CCNCC6

Isomeric SMILES

CCCCC1=NN(C(=O)C2=C1C(=CC=C2)C3(C4=CC=CC=C4OC5=CC=CC=C53)C(=O)NCC(F)(F)F)N6CCNCC6

InChI

InChI=1S/C32H32F3N5O3/c1-2-3-13-25-28-21(29(41)40(38-25)39-18-16-36-17-19-39)9-8-12-24(28)32(30(42)37-20-31(33,34)35)22-10-4-6-14-26(22)43-27-15-7-5-11-23(27)32/h4-12,14-15,36H,2-3,13,16-20H2,1H3,(H,37,42)