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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,5-dimethylphenyl)-1-oxo-phthalazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,5-dimethylphenyl)-1-oxo-2-phthalazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,5-dimethylphenyl)-1-oxophthalazin-2-yl]acetamide Traditional Name: 2-[4-(2,5-dimethylphenyl)-1-keto-phthalazin-2-yl]-N-piperonyl-acetamide Formula: C26H23N3O4 MolecularWeight: 441.47852

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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)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H23N3O4/c1-16-7-8-17(2)21(11-16)25-19-5-3-4-6-20(19)26(31)29(28-25)14-24(30)27-13-18-9-10-22-23(12-18)33-15-32-22/h3-12H,13-15H2,1-2H3,(H,27,30)