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

Systemtic Name: N-[(E)-(4-butoxy-3-methoxy-phenyl)methylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(E)-(4-butoxy-3-methoxy-phenyl)methyleneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(E)-(4-butoxy-3-methoxy-benzylidene)amino]-4-keto-3H-phthalazine-1-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-3-4-11-29-17-10-9-14(12-18(17)28-2)13-22-24-21(27)19-15-7-5-6-8-16(15)20(26)25-23-19/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,27)(H,25,26)/b22-13+