N-[(E)-(4-butoxy-3-methoxy-phenyl)methylideneamino]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-(4-butoxy-3-methoxy-phenyl)methylideneamino]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(E)-(4-butoxy-3-methoxy-phenyl)methyleneamino]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(E)-(4-butoxy-3-methoxy-benzylidene)amino]-4-keto-3-methyl-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=NN(C(=O)C3=CC=CC=C32)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=N/NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)OC

InChI

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