4-[4-(2-fluoranyl-5-methylsulfonyl-phenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinoline

Systemtic Name: 4-[4-(2-fluoranyl-5-methylsulfonyl-phenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinoline Openeye Name: 4-[4-(2-fluoro-5-methylsulfonyl-phenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinoline CAS Name: 4-[4-(2-fluoro-5-methylsulfonylphenyl)-1-piperazinyl]-6-(1H-pyrazol-4-yl)quinoline IUPAC Name: 4-[4-(2-fluoro-5-methylsulfonylphenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinoline Traditional Name: 4-[4-(2-fluoro-5-mesyl-phenyl)piperazino]-6-(1H-pyrazol-4-yl)quinoline Formula: C23H22FN5O2S MolecularWeight: 451.516483

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)F)N2CCN(CC2)C3=C4C=C(C=CC4=NC=C3)C5=CNN=C5

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)F)N2CCN(CC2)C3=C4C=C(C=CC4=NC=C3)C5=CNN=C5

InChI

InChI=1S/C23H22FN5O2S/c1-32(30,31)18-3-4-20(24)23(13-18)29-10-8-28(9-11-29)22-6-7-25-21-5-2-16(12-19(21)22)17-14-26-27-15-17/h2-7,12-15H,8-11H2,1H3,(H,26,27)