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

Systemtic Name: N-[(E)-(4-hexoxyphenyl)methylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(E)-(4-hexoxyphenyl)methyleneamino]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(E)-(4-hexoxyphenyl)methylideneamino]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(E)-(4-hexoxyphenyl)methylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[(E)-(4-hexoxybenzylidene)amino]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O3/c1-3-5-6-9-17-32-20-14-12-19(13-15-20)18-26-27-24(30)23-21-10-7-8-11-22(21)25(31)29(28-23)16-4-2/h7-8,10-15,18H,3-6,9,16-17H2,1-2H3,(H,27,30)/b26-18+