N-(1,3-benzodioxol-5-yl)-3-methyl-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-methyl-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-methyl-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-methyl-2-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-methyl-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]-3-methyl-butyramide Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C)C(C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H22N4O5/c1-12(2)20(22(29)23-13-7-8-17-18(9-13)31-11-30-17)24-19(27)10-16-14-5-3-4-6-15(14)21(28)26-25-16/h3-9,12,20H,10-11H2,1-2H3,(H,23,29)(H,24,27)(H,26,28)