4-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazino]-2-keto-ethyl]-2H-phthalazin-1-one Formula: C19H21N5O5S MolecularWeight: 431.46554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H21N5O5S/c1-12-18(13(2)29-22-12)30(27,28)24-9-7-23(8-10-24)17(25)11-16-14-5-3-4-6-15(14)19(26)21-20-16/h3-6H,7-11H2,1-2H3,(H,21,26)