N-[(E)-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)methylideneamino]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)methylideneamino]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(E)-(3-chloro-5-ethoxy-4-propoxy-phenyl)methyleneamino]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(E)-(3-chloro-5-ethoxy-4-propoxy-benzylidene)amino]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C22H23ClN4O4 MolecularWeight: 442.89542

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=N/NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)OCC

InChI

InChI=1S/C22H23ClN4O4/c1-4-10-31-20-17(23)11-14(12-18(20)30-5-2)13-24-25-21(28)19-15-8-6-7-9-16(15)22(29)27(3)26-19/h6-9,11-13H,4-5,10H2,1-3H3,(H,25,28)/b24-13+