4-[[4-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carbonyl]piperazino]methyl]benzonitrile Formula: C23H21ClFN5O MolecularWeight: 437.897143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H21ClFN5O/c1-16-21(22(24)30(27-16)20-8-6-19(25)7-9-20)23(31)29-12-10-28(11-13-29)15-18-4-2-17(14-26)3-5-18/h2-9H,10-13,15H2,1H3