2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[2-keto-2-(4-methylpiperidino)ethyl]-4-(2-thienyl)phthalazin-1-one Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

Isomeric SMILES

CC1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

InChI

InChI=1S/C20H21N3O2S/c1-14-8-10-22(11-9-14)18(24)13-23-20(25)16-6-3-2-5-15(16)19(21-23)17-7-4-12-26-17/h2-7,12,14H,8-11,13H2,1H3