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

Systemtic Name: 4-[4-(3-fluoranyl-5-methylsulfonyl-phenyl)piperazin-1-yl]-6-[1-(triphenylmethyl)pyrazol-4-yl]quinazoline Openeye Name: 4-[4-(3-fluoro-5-methylsulfonyl-phenyl)piperazin-1-yl]-6-(1-tritylpyrazol-4-yl)quinazoline CAS Name: 4-[4-(3-fluoro-5-methylsulfonylphenyl)-1-piperazinyl]-6-[1-(triphenylmethyl)-4-pyrazolyl]quinazoline IUPAC Name: 4-[4-(3-fluoro-5-methylsulfonylphenyl)piperazin-1-yl]-6-(1-tritylpyrazol-4-yl)quinazoline Traditional Name: 4-[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=NC4=C3C=C(C=C4)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=NC4=C3C=C(C=C4)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)37-25-35(42)24-36(26-37)46-19-21-47(22-20-46)40-38-23-30(17-18-39(38)43-29-44-40)31-27-45-48(28-31)41(32-11-5-2-6-12-32,33-13-7-3-8-14-33)34-15-9-4-10-16-34/h2-18,23-29H,19-22H2,1H3