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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC(=C(C=C3)OC)O

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=CC(=C(C=C3)OC)O

InChI

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