N-(4-fluorophenyl)-3-[2-quinazolin-4-yl-4-[1-(triphenylmethyl)pyrazol-1-ium-1-yl]piperazin-1-yl]benzamide

Systemtic Name: N-(4-fluorophenyl)-3-[2-quinazolin-4-yl-4-[1-(triphenylmethyl)pyrazol-1-ium-1-yl]piperazin-1-yl]benzamide Openeye Name: N-(4-fluorophenyl)-3-[2-quinazolin-4-yl-4-(1-tritylpyrazol-1-ium-1-yl)piperazin-1-yl]benzamide CAS Name: N-(4-fluorophenyl)-3-[2-(4-quinazolinyl)-4-[1-(triphenylmethyl)-1-pyrazol-1-iumyl]-1-piperazinyl]benzamide IUPAC Name: N-(4-fluorophenyl)-3-[2-quinazolin-4-yl-4-(1-tritylpyrazol-1-ium-1-yl)piperazin-1-yl]benzamide Traditional Name: N-(4-fluorophenyl)-3-[2-quinazolin-4-yl-4-(1-tritylpyrazol-1-ium-1-yl)piperazino]benzamide Formula: C47H39FN7O+ MolecularWeight: 736.857263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1[N+]2(C=CC=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=NC=NC7=CC=CC=C76)C8=CC=CC(=C8)C(=O)NC9=CC=C(C=C9)F

Isomeric SMILES

C1CN(C(CN1[N+]2(C=CC=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=NC=NC7=CC=CC=C76)C8=CC=CC(=C8)C(=O)NC9=CC=C(C=C9)F

InChI

InChI=1S/C47H38FN7O/c48-39-24-26-40(27-25-39)52-46(56)35-14-12-21-41(32-35)54-30-29-53(33-44(54)45-42-22-10-11-23-43(42)49-34-50-45)55(31-13-28-51-55)47(36-15-4-1-5-16-36,37-17-6-2-7-18-37)38-19-8-3-9-20-38/h1-28,31-32,34,44H,29-30,33H2/p+1