N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[1-(2,2-dimethylpropanoyl)-4-piperidyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[1-(2,2-dimethyl-1-oxopropyl)-4-piperidinyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-(1-pivaloyl-4-piperidyl)phthalazine-1-carboxamide Formula: C24H34N4O3 MolecularWeight: 426.55176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCN(CC3)C(=O)C(C)(C)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCN(CC3)C(=O)C(C)(C)C

InChI

InChI=1S/C24H34N4O3/c1-5-6-9-14-28-22(30)19-11-8-7-10-18(19)20(26-28)21(29)25-17-12-15-27(16-13-17)23(31)24(2,3)4/h7-8,10-11,17H,5-6,9,12-16H2,1-4H3,(H,25,29)