2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[2-(2,6-dimethylpiperidino)-2-keto-ethyl]-4-(2-thienyl)phthalazin-1-one Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)C

Isomeric SMILES

CC1CCCC(N1C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)C

InChI

InChI=1S/C21H23N3O2S/c1-14-7-5-8-15(2)24(14)19(25)13-23-21(26)17-10-4-3-9-16(17)20(22-23)18-11-6-12-27-18/h3-4,6,9-12,14-15H,5,7-8,13H2,1-2H3