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

Systemtic Name: N-[(E)-(4-butoxyphenyl)methylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(E)-(4-butoxyphenyl)methyleneamino]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(E)-(4-butoxyphenyl)methylideneamino]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(E)-(4-butoxyphenyl)methylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[(E)-(4-butoxybenzylidene)amino]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=N/NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCC

InChI

InChI=1S/C23H26N4O3/c1-3-5-15-30-18-12-10-17(11-13-18)16-24-25-22(28)21-19-8-6-7-9-20(19)23(29)27(26-21)14-4-2/h6-13,16H,3-5,14-15H2,1-2H3,(H,25,28)/b24-16+