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

Systemtic Name: 9-(1-oxidanylidene-2-piperazin-1-yl-4-propyl-phthalazin-5-yl)-N-[2,2,2-tris(fluoranyl)ethyl]xanthene-9-carboxamide Openeye Name: 9-(1-oxo-2-piperazin-1-yl-4-propyl-phthalazin-5-yl)-N-(2,2,2-trifluoroethyl)xanthene-9-carboxamide CAS Name: 9-[1-oxo-2-(1-piperazinyl)-4-propyl-5-phthalazinyl]-N-(2,2,2-trifluoroethyl)-9-xanthenecarboxamide IUPAC Name: 9-(1-oxo-2-piperazin-1-yl-4-propylphthalazin-5-yl)-N-(2,2,2-trifluoroethyl)xanthene-9-carboxamide Traditional Name: 9-(1-keto-2-piperazino-4-propyl-phthalazin-5-yl)-N-(2,2,2-trifluoroethyl)xanthene-9-carboxamide Formula: C31H30F3N5O3 MolecularWeight: 577.59681

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C2=C1C(=CC=C2)C3(C4=CC=CC=C4OC5=CC=CC=C53)C(=O)NCC(F)(F)F)N6CCNCC6

Isomeric SMILES

CCCC1=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/C31H30F3N5O3/c1-2-8-24-27-20(28(40)39(37-24)38-17-15-35-16-18-38)9-7-12-23(27)31(29(41)36-19-30(32,33)34)21-10-3-5-13-25(21)42-26-14-6-4-11-22(26)31/h3-7,9-14,35H,2,8,15-19H2,1H3,(H,36,41)