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

Systemtic Name: 2-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[2-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-4-methyl-phthalazin-1-one CAS Name: 2-[2-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one Traditional Name: 2-[2-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazino]-2-keto-ethyl]-4-methyl-phthalazin-1-one Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C

InChI

InChI=1S/C20H23N5O5S/c1-13-16-6-4-5-7-17(16)20(27)25(21-13)12-18(26)23-8-10-24(11-9-23)31(28,29)19-14(2)22-30-15(19)3/h4-7H,8-12H2,1-3H3