N-[(Z)-1-[2,5-bis(fluoranyl)phenyl]ethylideneamino]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-1-[2,5-bis(fluoranyl)phenyl]ethylideneamino]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-4-keto-phthalazine-1-carboxamide Formula: C21H20F2N4O2 MolecularWeight: 398.405906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(C)C3=C(C=CC(=C3)F)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C(/C)\C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C21H20F2N4O2/c1-3-4-11-27-21(29)16-8-6-5-7-15(16)19(26-27)20(28)25-24-13(2)17-12-14(22)9-10-18(17)23/h5-10,12H,3-4,11H2,1-2H3,(H,25,28)/b24-13-