4-[2-[4-[2-(4-methyl-1,3-thiazol-2-yl)ethanoyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[4-[2-(4-methyl-1,3-thiazol-2-yl)ethanoyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-[2-(4-methylthiazol-2-yl)acetyl]piperazin-1-yl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-[2-(4-methyl-2-thiazolyl)-1-oxoethyl]-1-piperazinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[4-[2-(4-methylthiazol-2-yl)acetyl]piperazino]ethyl]-2H-phthalazin-1-one Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)CC(=O)N2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=CSC(=N1)CC(=O)N2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H21N5O3S/c1-13-12-29-17(21-13)11-19(27)25-8-6-24(7-9-25)18(26)10-16-14-4-2-3-5-15(14)20(28)23-22-16/h2-5,12H,6-11H2,1H3,(H,23,28)