N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-benzyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-benzyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-benzyl-4-keto-phthalazine-1-carboxamide Formula: C25H19N3O5 MolecularWeight: 441.43546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)OCO2

InChI

InChI=1S/C25H19N3O5/c1-15(29)19-11-21-22(33-14-32-21)12-20(19)26-24(30)23-17-9-5-6-10-18(17)25(31)28(27-23)13-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3,(H,26,30)