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

Systemtic Name: N-(3-methyl-1-oxidanyl-pentan-2-yl)-1-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyl]piperidine-4-carboxamide Openeye Name: N-[1-(hydroxymethyl)-2-methyl-butyl]-1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidine-4-carboxamide CAS Name: N-(1-hydroxy-3-methylpentan-2-yl)-1-[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]-4-piperidinecarboxamide IUPAC Name: N-(1-hydroxy-3-methylpentan-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-butyl)isonipecotamide Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O4/c1-3-14(2)19(13-27)23-21(29)15-8-10-26(11-9-15)20(28)12-18-16-6-4-5-7-17(16)22(30)25-24-18/h4-7,14-15,19,27H,3,8-13H2,1-2H3,(H,23,29)(H,25,30)