3-methyl-4-oxidanylidene-N-[(E)-(4-propoxyphenyl)methylideneamino]phthalazine-1-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-[(E)-(4-propoxyphenyl)methylideneamino]phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-[(E)-(4-propoxyphenyl)methyleneamino]phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[(E)-(4-propoxyphenyl)methylideneamino]-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-[(E)-(4-propoxyphenyl)methylideneamino]phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[(E)-(4-propoxybenzylidene)amino]phthalazine-1-carboxamide Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=N/NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C20H20N4O3/c1-3-12-27-15-10-8-14(9-11-15)13-21-22-19(25)18-16-6-4-5-7-17(16)20(26)24(2)23-18/h4-11,13H,3,12H2,1-2H3,(H,22,25)/b21-13+