N-(5-chloranylpyridin-2-yl)-3-(2,4-dimethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-3-(2,4-dimethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(5-chloro-2-pyridyl)-3-(2,4-dimethoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(5-chloro-2-pyridinyl)-3-(2,4-dimethoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(5-chloropyridin-2-yl)-3-(2,4-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(5-chloro-2-pyridyl)-3-(2,4-dimethoxyphenyl)-4-keto-phthalazine-1-carboxamide Formula: C22H17ClN4O4 MolecularWeight: 436.84778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC=C(C=C4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC=C(C=C4)Cl)OC

InChI

InChI=1S/C22H17ClN4O4/c1-30-14-8-9-17(18(11-14)31-2)27-22(29)16-6-4-3-5-15(16)20(26-27)21(28)25-19-10-7-13(23)12-24-19/h3-12H,1-2H3,(H,24,25,28)