N-(3-methyl-1-oxidanyl-butan-2-yl)-1-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyl]piperidine-4-carboxamide

Systemtic Name: N-(3-methyl-1-oxidanyl-butan-2-yl)-1-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyl]piperidine-4-carboxamide Openeye Name: N-[1-(hydroxymethyl)-2-methyl-propyl]-1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidine-4-carboxamide CAS Name: N-(1-hydroxy-3-methylbutan-2-yl)-1-[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]-4-piperidinecarboxamide IUPAC Name: N-(1-hydroxy-3-methylbutan-2-yl)-1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-(4-keto-3H-phthalazin-1-yl)acetyl]-N-(2-methyl-1-methylol-propyl)isonipecotamide Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)NC(=O)C1CCN(CC1)C(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)C(CO)NC(=O)C1CCN(CC1)C(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H28N4O4/c1-13(2)18(12-26)22-20(28)14-7-9-25(10-8-14)19(27)11-17-15-5-3-4-6-16(15)21(29)24-23-17/h3-6,13-14,18,26H,7-12H2,1-2H3,(H,22,28)(H,24,29)