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

Systemtic Name: 3-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxo-piperazin-1-yl]methyl]-4-fluoro-benzonitrile CAS Name: 3-[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-oxo-1-piperazinyl]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]methyl]-4-fluorobenzonitrile Traditional Name: 3-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-keto-piperazino]methyl]-4-fluoro-benzonitrile Formula: C23H22FN5O MolecularWeight: 403.452083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CC4=C(C=CC(=C4)C#N)F

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CC4=C(C=CC(=C4)C#N)F

InChI

InChI=1S/C23H22FN5O/c1-15-21(16(2)29(27-15)19-6-4-3-5-7-19)22-23(30)26-10-11-28(22)14-18-12-17(13-25)8-9-20(18)24/h3-9,12,22H,10-11,14H2,1-2H3,(H,26,30)