4-oxidanylidene-3-[2-oxidanylidene-2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]amino]ethyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]amino]ethyl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-[2-oxo-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]ethyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-[2-oxo-2-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]ethyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-[2-oxo-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]ethyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-[2-keto-2-[2-pyrrolidino-5-(trifluoromethyl)anilino]ethyl]phthalazine-1-carboxamide Formula: C22H20F3N5O3 MolecularWeight: 459.42111

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

InChI

InChI=1S/C22H20F3N5O3/c23-22(24,25)13-7-8-17(29-9-3-4-10-29)16(11-13)27-18(31)12-30-21(33)15-6-2-1-5-14(15)19(28-30)20(26)32/h1-2,5-8,11H,3-4,9-10,12H2,(H2,26,32)(H,27,31)