3-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methyl]-6-(3-phenylprop-1-ynyl)quinazolin-4-one

Systemtic Name: 3-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methyl]-6-(3-phenylprop-1-ynyl)quinazolin-4-one Openeye Name: 3-[(3,5-difluoro-4-hydroxy-phenyl)methyl]-6-(3-phenylprop-1-ynyl)quinazolin-4-one CAS Name: 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-6-(3-phenylprop-1-ynyl)-4-quinazolinone IUPAC Name: 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-6-(3-phenylprop-1-ynyl)quinazolin-4-one Traditional Name: 3-(3,5-difluoro-4-hydroxy-benzyl)-6-(3-phenylprop-1-ynyl)quinazolin-4-one Formula: C24H16F2N2O2 MolecularWeight: 402.392846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC#CC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC(=C(C(=C4)F)O)F

Isomeric SMILES

C1=CC=C(C=C1)CC#CC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC(=C(C(=C4)F)O)F

InChI

InChI=1S/C24H16F2N2O2/c25-20-12-18(13-21(26)23(20)29)14-28-15-27-22-10-9-17(11-19(22)24(28)30)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,9-13,15,29H,7,14H2