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

Systemtic Name: N-[(E)-(4-butoxyphenyl)methylideneamino]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(E)-(4-butoxyphenyl)methyleneamino]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-(4-butoxyphenyl)methylideneamino]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(E)-(4-butoxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(E)-(4-butoxybenzylidene)amino]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-3-4-13-28-16-11-9-15(10-12-16)14-22-23-20(26)19-17-7-5-6-8-18(17)21(27)25(2)24-19/h5-12,14H,3-4,13H2,1-2H3,(H,23,26)/b22-14+