N-[(E)-(2,4-dipropoxyphenyl)methylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-(2,4-dipropoxyphenyl)methylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(E)-(2,4-dipropoxyphenyl)methyleneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(E)-(2,4-dipropoxyphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(E)-(2,4-dipropoxyphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(E)-(2,4-dipropoxybenzylidene)amino]-4-keto-3H-phthalazine-1-carboxamide Formula: C22H24N4O4 MolecularWeight: 408.45036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O4/c1-3-11-29-16-10-9-15(19(13-16)30-12-4-2)14-23-25-22(28)20-17-7-5-6-8-18(17)21(27)26-24-20/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,25,28)(H,26,27)/b23-14+