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

Systemtic Name: N-[(E)-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)methylideneamino]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(E)-(3-chloro-5-ethoxy-4-propoxy-phenyl)methyleneamino]-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(E)-(3-chloro-5-ethoxy-4-propoxy-benzylidene)amino]-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C23H25ClN4O4 MolecularWeight: 456.922

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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)CC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN4O4/c1-4-11-32-21-18(24)12-15(13-19(21)31-6-3)14-25-26-22(29)20-16-9-7-8-10-17(16)23(30)28(5-2)27-20/h7-10,12-14H,4-6,11H2,1-3H3,(H,26,29)/b25-14+