2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one

Systemtic Name: 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 2-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]phthalazin-1-one CAS Name: 2-[2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]-1-phthalazinone IUPAC Name: 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]phthalazin-1-one Traditional Name: 2-[2-keto-2-[(3S)-3-methylpiperidino]ethyl]phthalazin-1-one Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CN2C(=O)C3=CC=CC=C3C=N2

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CN2C(=O)C3=CC=CC=C3C=N2

InChI

InChI=1S/C16H19N3O2/c1-12-5-4-8-18(10-12)15(20)11-19-16(21)14-7-3-2-6-13(14)9-17-19/h2-3,6-7,9,12H,4-5,8,10-11H2,1H3/t12-/m0/s1