2-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxo-piperazin-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-oxo-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-keto-piperazino]methyl]phthalazin-1-one Formula: C24H24N6O2 MolecularWeight: 428.48636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CN4C(=O)C5=CC=CC=C5C=N4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CN4C(=O)C5=CC=CC=C5C=N4

InChI

InChI=1S/C24H24N6O2/c1-16-21(17(2)30(27-16)19-9-4-3-5-10-19)22-23(31)25-12-13-28(22)15-29-24(32)20-11-7-6-8-18(20)14-26-29/h3-11,14,22H,12-13,15H2,1-2H3,(H,25,31)