4-methyl-2-[2-oxidanylidene-2-[4-(1,3-thiazol-2-ylcarbonyl)piperidin-1-yl]ethyl]phthalazin-1-one

Systemtic Name: 4-methyl-2-[2-oxidanylidene-2-[4-(1,3-thiazol-2-ylcarbonyl)piperidin-1-yl]ethyl]phthalazin-1-one Openeye Name: 4-methyl-2-[2-oxo-2-[4-(thiazole-2-carbonyl)-1-piperidyl]ethyl]phthalazin-1-one CAS Name: 4-methyl-2-[2-oxo-2-[4-[oxo(2-thiazolyl)methyl]-1-piperidinyl]ethyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[2-oxo-2-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethyl]phthalazin-1-one Traditional Name: 2-[2-keto-2-[4-(thiazole-2-carbonyl)piperidino]ethyl]-4-methyl-phthalazin-1-one Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCC(CC3)C(=O)C4=NC=CS4

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCC(CC3)C(=O)C4=NC=CS4

InChI

InChI=1S/C20H20N4O3S/c1-13-15-4-2-3-5-16(15)20(27)24(22-13)12-17(25)23-9-6-14(7-10-23)18(26)19-21-8-11-28-19/h2-5,8,11,14H,6-7,9-10,12H2,1H3