3-butyl-N-[(E)-(4-hexoxyphenyl)methylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-[(E)-(4-hexoxyphenyl)methylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[(E)-(4-hexoxyphenyl)methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[(E)-(4-hexoxyphenyl)methylideneamino]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[(E)-(4-hexoxyphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[(E)-(4-hexoxybenzylidene)amino]-4-keto-phthalazine-1-carboxamide Formula: C26H32N4O3 MolecularWeight: 448.55728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)/C=N/NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCCC

InChI

InChI=1S/C26H32N4O3/c1-3-5-7-10-18-33-21-15-13-20(14-16-21)19-27-28-25(31)24-22-11-8-9-12-23(22)26(32)30(29-24)17-6-4-2/h8-9,11-16,19H,3-7,10,17-18H2,1-2H3,(H,28,31)/b27-19+