N-(4-chloranyl-2,5-dimethoxy-phenyl)-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-3-isobutyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-3-isobutyl-4-keto-phthalazine-1-carboxamide Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3OC)Cl)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3OC)Cl)OC

InChI

InChI=1S/C21H22ClN3O4/c1-12(2)11-25-21(27)14-8-6-5-7-13(14)19(24-25)20(26)23-16-10-17(28-3)15(22)9-18(16)29-4/h5-10,12H,11H2,1-4H3,(H,23,26)