N-(1,3-benzodioxol-5-yl)-2-[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(2,5-dimethylphenyl)-1-oxo-phthalazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-(2,5-dimethylphenyl)-1-oxo-2-phthalazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(2,5-dimethylphenyl)-1-oxophthalazin-2-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-(2,5-dimethylphenyl)-1-keto-phthalazin-2-yl]acetamide Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H21N3O4/c1-15-7-8-16(2)20(11-15)24-18-5-3-4-6-19(18)25(30)28(27-24)13-23(29)26-17-9-10-21-22(12-17)32-14-31-21/h3-12H,13-14H2,1-2H3,(H,26,29)