N-[(Z)-1-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)ethylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-1-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)ethylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(Z)-1-(3-fluoro-4-pyrrolidin-1-yl-phenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(Z)-1-[3-fluoro-4-(1-pyrrolidinyl)phenyl]ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(Z)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(Z)-1-(3-fluoro-4-pyrrolidino-phenyl)ethylideneamino]-4-keto-3H-phthalazine-1-carboxamide Formula: C21H20FN5O2 MolecularWeight: 393.414203

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NNC(=O)C2=CC=CC=C21)C3=CC(=C(C=C3)N4CCCC4)F

Isomeric SMILES

C/C(=N/NC(=O)C1=NNC(=O)C2=CC=CC=C21)/C3=CC(=C(C=C3)N4CCCC4)F

InChI

InChI=1S/C21H20FN5O2/c1-13(14-8-9-18(17(22)12-14)27-10-4-5-11-27)23-26-21(29)19-15-6-2-3-7-16(15)20(28)25-24-19/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,25,28)(H,26,29)/b23-13-