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

Systemtic Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one Openeye Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-2-piperazinone IUPAC Name: 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[2-keto-2-(4-phenylpiperazino)ethyl]piperazin-2-one Formula: C27H32N6O2 MolecularWeight: 472.58198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H32N6O2/c1-20-25(21(2)33(29-20)23-11-7-4-8-12-23)26-27(35)28-13-14-32(26)19-24(34)31-17-15-30(16-18-31)22-9-5-3-6-10-22/h3-12,26H,13-19H2,1-2H3,(H,28,35)