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

Systemtic Name: N-(4,5-dimethoxy-2-methyl-phenyl)-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(4,5-dimethoxy-2-methyl-phenyl)-3-isobutyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(4,5-dimethoxy-2-methyl-phenyl)-3-isobutyl-4-keto-phthalazine-1-carboxamide Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C)OC)OC

InChI

InChI=1S/C22H25N3O4/c1-13(2)12-25-22(27)16-9-7-6-8-15(16)20(24-25)21(26)23-17-11-19(29-5)18(28-4)10-14(17)3/h6-11,13H,12H2,1-5H3,(H,23,26)