N-[(Z)-(4-butoxy-3-ethoxy-phenyl)methylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-(4-butoxy-3-ethoxy-phenyl)methylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(Z)-(4-butoxy-3-ethoxy-phenyl)methyleneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(Z)-(4-butoxy-3-ethoxy-benzylidene)amino]-4-keto-3H-phthalazine-1-carboxamide Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=NNC(=O)C2=NNC(=O)C3=CC=CC=C32)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=N\NC(=O)C2=NNC(=O)C3=CC=CC=C32)OCC

InChI

InChI=1S/C22H24N4O4/c1-3-5-12-30-18-11-10-15(13-19(18)29-4-2)14-23-25-22(28)20-16-8-6-7-9-17(16)21(27)26-24-20/h6-11,13-14H,3-5,12H2,1-2H3,(H,25,28)(H,26,27)/b23-14-