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

Systemtic Name: N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[1-(2,2-dimethylpropanoyl)-4-piperidyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[1-(2,2-dimethyl-1-oxopropyl)-4-piperidinyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-(1-pivaloyl-4-piperidyl)-3-propyl-phthalazine-1-carboxamide Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCN(CC3)C(=O)C(C)(C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCN(CC3)C(=O)C(C)(C)C

InChI

InChI=1S/C22H30N4O3/c1-5-12-26-20(28)17-9-7-6-8-16(17)18(24-26)19(27)23-15-10-13-25(14-11-15)21(29)22(2,3)4/h6-9,15H,5,10-14H2,1-4H3,(H,23,27)