2-ethyl-7-[1-(2-fluoranylpyridin-3-yl)-5-methyl-1,2,3-triazol-4-yl]-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-ethyl-7-[1-(2-fluoranylpyridin-3-yl)-5-methyl-1,2,3-triazol-4-yl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-ethyl-7-[1-(2-fluoro-3-pyridyl)-5-methyl-triazol-4-yl]quinazolin-4-one CAS Name: 2-ethyl-7-[1-(2-fluoro-3-pyridinyl)-5-methyl-4-triazolyl]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-ethyl-7-[1-(2-fluoropyridin-3-yl)-5-methyltriazol-4-yl]quinazolin-4-one Traditional Name: 3-benzyl-2-ethyl-7-[1-(2-fluoro-3-pyridyl)-5-methyl-triazol-4-yl]quinazolin-4-one Formula: C25H21FN6O MolecularWeight: 440.472243

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C3=C(N(N=N3)C4=C(N=CC=C4)F)C)C(=O)N1CC5=CC=CC=C5

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C3=C(N(N=N3)C4=C(N=CC=C4)F)C)C(=O)N1CC5=CC=CC=C5

InChI

InChI=1S/C25H21FN6O/c1-3-22-28-20-14-18(23-16(2)32(30-29-23)21-10-7-13-27-24(21)26)11-12-19(20)25(33)31(22)15-17-8-5-4-6-9-17/h4-14H,3,15H2,1-2H3