ethyl 2-fluoranyl-5-[6-[1-(triphenylmethyl)pyrazol-4-yl]quinazolin-4-yl]benzoate

Systemtic Name: ethyl 2-fluoranyl-5-[6-[1-(triphenylmethyl)pyrazol-4-yl]quinazolin-4-yl]benzoate Openeye Name: ethyl 2-fluoro-5-[6-(1-tritylpyrazol-4-yl)quinazolin-4-yl]benzoate CAS Name: 2-fluoro-5-[6-[1-(triphenylmethyl)-4-pyrazolyl]-4-quinazolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-fluoro-5-[6-(1-tritylpyrazol-4-yl)quinazolin-4-yl]benzoate Traditional Name: 2-fluoro-5-[6-(1-tritylpyrazol-4-yl)quinazolin-4-yl]benzoic acid ethyl ester Formula: C39H29FN4O2 MolecularWeight: 604.671563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)C2=NC=NC3=C2C=C(C=C3)C4=CN(N=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)F

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)C2=NC=NC3=C2C=C(C=C3)C4=CN(N=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)F

InChI

InChI=1S/C39H29FN4O2/c1-2-46-38(45)33-23-28(18-20-35(33)40)37-34-22-27(19-21-36(34)41-26-42-37)29-24-43-44(25-29)39(30-12-6-3-7-13-30,31-14-8-4-9-15-31)32-16-10-5-11-17-32/h3-26H,2H2,1H3