3-butyl-N-[(Z)-(3-fluoranyl-4-methoxy-phenyl)methylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-[(Z)-(3-fluoranyl-4-methoxy-phenyl)methylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[(Z)-(3-fluoro-4-methoxy-phenyl)methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[(Z)-(3-fluoro-4-methoxy-benzylidene)amino]-4-keto-phthalazine-1-carboxamide Formula: C21H21FN4O3 MolecularWeight: 396.414843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN4O3/c1-3-4-11-26-21(28)16-8-6-5-7-15(16)19(25-26)20(27)24-23-13-14-9-10-18(29-2)17(22)12-14/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,27)/b23-13-