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

Systemtic Name: N-[(E)-(4-butoxyphenyl)methylideneamino]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(E)-(4-butoxyphenyl)methyleneamino]-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-(4-butoxyphenyl)methylideneamino]-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(E)-(4-butoxyphenyl)methylideneamino]-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(E)-(4-butoxybenzylidene)amino]-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C22H24N4O3 MolecularWeight: 392.45096

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3/c1-3-5-14-29-17-12-10-16(11-13-17)15-23-24-21(27)20-18-8-6-7-9-19(18)22(28)26(4-2)25-20/h6-13,15H,3-5,14H2,1-2H3,(H,24,27)/b23-15+