4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]carbonyl-2-ethyl-phthalazin-1-one

Systemtic Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]carbonyl-2-ethyl-phthalazin-1-one Openeye Name: 4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-ethyl-phthalazin-1-one CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]-oxomethyl]-2-ethyl-1-phthalazinone IUPAC Name: 4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-ethylphthalazin-1-one Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-ethyl-phthalazin-1-one Formula: C18H23N3O2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC(CC(C3)C)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3C[C@@H](C[C@H](C3)C)C

InChI

InChI=1S/C18H23N3O2/c1-4-21-17(22)15-8-6-5-7-14(15)16(19-21)18(23)20-10-12(2)9-13(3)11-20/h5-8,12-13H,4,9-11H2,1-3H3/t12-,13-/m1/s1