3-methyl-N-(3-methyl-1-oxidanyl-pentan-2-yl)-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]butanamide

Systemtic Name: 3-methyl-N-(3-methyl-1-oxidanyl-pentan-2-yl)-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]butanamide Openeye Name: N-[1-(hydroxymethyl)-2-methyl-butyl]-3-methyl-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanamide CAS Name: N-(1-hydroxy-3-methylpentan-2-yl)-3-methyl-2-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]butanamide IUPAC Name: N-(1-hydroxy-3-methylpentan-2-yl)-3-methyl-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanamide Traditional Name: 2-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]-3-methyl-N-(2-methyl-1-methylol-butyl)butyramide Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CO)NC(=O)C(C(C)C)NC(=O)CC1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CCC(C)C(CO)NC(=O)C(C(C)C)NC(=O)CC1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C21H30N4O4/c1-5-13(4)17(11-26)22-21(29)19(12(2)3)23-18(27)10-16-14-8-6-7-9-15(14)20(28)25-24-16/h6-9,12-13,17,19,26H,5,10-11H2,1-4H3,(H,22,29)(H,23,27)(H,25,28)