2-[4-(3-fluoranyl-5-methylsulfonyl-phenyl)piperazin-1-yl]-6-[1-(triphenylmethyl)pyrazol-4-yl]quinazoline

Systemtic Name: 2-[4-(3-fluoranyl-5-methylsulfonyl-phenyl)piperazin-1-yl]-6-[1-(triphenylmethyl)pyrazol-4-yl]quinazoline Openeye Name: 2-[4-(3-fluoro-5-methylsulfonyl-phenyl)piperazin-1-yl]-6-(1-tritylpyrazol-4-yl)quinazoline CAS Name: 2-[4-(3-fluoro-5-methylsulfonylphenyl)-1-piperazinyl]-6-[1-(triphenylmethyl)-4-pyrazolyl]quinazoline IUPAC Name: 2-[4-(3-fluoro-5-methylsulfonylphenyl)piperazin-1-yl]-6-(1-tritylpyrazol-4-yl)quinazoline Traditional Name: 2-[4-(3-fluoro-5-mesyl-phenyl)piperazino]-6-(1-tritylpyrazol-4-yl)quinazoline Formula: C41H35FN6O2S MolecularWeight: 694.819003

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC(=C1)F)N2CCN(CC2)C3=NC=C4C=C(C=CC4=N3)C5=CN(N=C5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC(=C1)F)N2CCN(CC2)C3=NC=C4C=C(C=CC4=N3)C5=CN(N=C5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C41H35FN6O2S/c1-51(49,50)38-25-36(42)24-37(26-38)46-19-21-47(22-20-46)40-43-27-31-23-30(17-18-39(31)45-40)32-28-44-48(29-32)41(33-11-5-2-6-12-33,34-13-7-3-8-14-34)35-15-9-4-10-16-35/h2-18,23-29H,19-22H2,1H3