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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC(=C(C(=C3)Cl)OCC)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=CC(=C(C(=C3)Cl)OCC)OC

InChI

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