N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-4-fluoranyl-N-(2-methylpropyl)benzamide

Systemtic Name: N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-4-fluoranyl-N-(2-methylpropyl)benzamide Openeye Name: N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-4-fluoro-N-isobutyl-benzamide CAS Name: N-[[5-(4-ethyl-1-piperazinyl)-3-methyl-1-phenyl-4-pyrazolyl]methyl]-4-fluoro-N-(2-methylpropyl)benzamide IUPAC Name: N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(2-methylpropyl)benzamide Traditional Name: N-[[5-(4-ethylpiperazino)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-4-fluoro-N-isobutyl-benzamide Formula: C28H36FN5O MolecularWeight: 477.616743

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NN2C3=CC=CC=C3)C)CN(CC(C)C)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NN2C3=CC=CC=C3)C)CN(CC(C)C)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H36FN5O/c1-5-31-15-17-32(18-16-31)27-26(22(4)30-34(27)25-9-7-6-8-10-25)20-33(19-21(2)3)28(35)23-11-13-24(29)14-12-23/h6-14,21H,5,15-20H2,1-4H3