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

Systemtic Name: 3-butyl-N-[(Z)-1-(3-fluoranyl-4-methoxy-phenyl)ethylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[(Z)-1-(3-fluoro-4-methoxy-phenyl)ethylideneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[(Z)-1-(3-fluoro-4-methoxyphenyl)ethylideneamino]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[(Z)-1-(3-fluoro-4-methoxyphenyl)ethylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[(Z)-1-(3-fluoro-4-methoxy-phenyl)ethylideneamino]-4-keto-phthalazine-1-carboxamide Formula: C22H23FN4O3 MolecularWeight: 410.441423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN4O3/c1-4-5-12-27-22(29)17-9-7-6-8-16(17)20(26-27)21(28)25-24-14(2)15-10-11-19(30-3)18(23)13-15/h6-11,13H,4-5,12H2,1-3H3,(H,25,28)/b24-14-