6-[3-(4-fluorophenyl)-1-(triphenylmethyl)pyrazol-4-yl]-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)quinazoline

Systemtic Name: 6-[3-(4-fluorophenyl)-1-(triphenylmethyl)pyrazol-4-yl]-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)quinazoline Openeye Name: 6-[3-(4-fluorophenyl)-1-trityl-pyrazol-4-yl]-4-[5-(1-piperidylsulfonyl)-2-thienyl]quinazoline CAS Name: 6-[3-(4-fluorophenyl)-1-(triphenylmethyl)-4-pyrazolyl]-4-[5-(1-piperidinylsulfonyl)-2-thiophenyl]quinazoline IUPAC Name: 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)quinazoline Traditional Name: 6-[3-(4-fluorophenyl)-1-trityl-pyrazol-4-yl]-4-(5-piperidinosulfonyl-2-thienyl)quinazoline Formula: C45H36FN5O2S2 MolecularWeight: 761.928043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C3=NC=NC4=C3C=C(C=C4)C5=CN(N=C5C6=CC=C(C=C6)F)C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C3=NC=NC4=C3C=C(C=C4)C5=CN(N=C5C6=CC=C(C=C6)F)C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C45H36FN5O2S2/c46-37-22-19-32(20-23-37)43-39(30-51(49-43)45(34-13-5-1-6-14-34,35-15-7-2-8-16-35)36-17-9-3-10-18-36)33-21-24-40-38(29-33)44(48-31-47-40)41-25-26-42(54-41)55(52,53)50-27-11-4-12-28-50/h1-3,5-10,13-26,29-31H,4,11-12,27-28H2