2-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethylphenyl)phthalazin-1-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethylphenyl)phthalazin-1-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethylphenyl)phthalazin-1-one CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethylphenyl)-1-phthalazinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethylphenyl)phthalazin-1-one Traditional Name: 4-(2,5-dimethylphenyl)-2-piperonyl-phthalazin-1-one Formula: C24H20N2O3 MolecularWeight: 384.4272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H20N2O3/c1-15-7-8-16(2)20(11-15)23-18-5-3-4-6-19(18)24(27)26(25-23)13-17-9-10-21-22(12-17)29-14-28-21/h3-12H,13-14H2,1-2H3