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

Systemtic Name: N-[(E)-(3-methoxy-4-propoxy-phenyl)methylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(E)-(3-methoxy-4-propoxy-phenyl)methyleneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[(E)-(3-methoxy-4-propoxy-benzylidene)amino]-3H-phthalazine-1-carboxamide Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4/c1-3-10-28-16-9-8-13(11-17(16)27-2)12-21-23-20(26)18-14-6-4-5-7-15(14)19(25)24-22-18/h4-9,11-12H,3,10H2,1-2H3,(H,23,26)(H,24,25)/b21-12+