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

Systemtic Name: 1-[3-(4-fluorophenyl)-1-(triphenylmethyl)pyrazol-4-yl]-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)-4H-quinazoline Openeye Name: 1-[3-(4-fluorophenyl)-1-trityl-pyrazol-4-yl]-4-[5-(1-piperidylsulfonyl)-2-thienyl]-4H-quinazoline CAS Name: 1-[3-(4-fluorophenyl)-1-(triphenylmethyl)-4-pyrazolyl]-4-[5-(1-piperidinylsulfonyl)-2-thiophenyl]-4H-quinazoline IUPAC Name: 1-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)-4H-quinazoline Traditional Name: 1-[3-(4-fluorophenyl)-1-trityl-pyrazol-4-yl]-4-(5-piperidinosulfonyl-2-thienyl)-4H-quinazoline Formula: C45H38FN5O2S2 MolecularWeight: 763.943923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C3C4=CC=CC=C4N(C=N3)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)C3C4=CC=CC=C4N(C=N3)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/C45H38FN5O2S2/c46-37-25-23-33(24-26-37)43-40(31-51(48-43)45(34-15-5-1-6-16-34,35-17-7-2-8-18-35)36-19-9-3-10-20-36)50-32-47-44(38-21-11-12-22-39(38)50)41-27-28-42(54-41)55(52,53)49-29-13-4-14-30-49/h1-3,5-12,15-28,31-32,44H,4,13-14,29-30H2