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

Systemtic Name: 3-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(3-phenylprop-1-ynyl)quinazolin-4-one Openeye Name: 3-[(3,4-difluorophenyl)methyl]-6-(3-phenylprop-1-ynyl)quinazolin-4-one CAS Name: 3-[(3,4-difluorophenyl)methyl]-6-(3-phenylprop-1-ynyl)-4-quinazolinone IUPAC Name: 3-[(3,4-difluorophenyl)methyl]-6-(3-phenylprop-1-ynyl)quinazolin-4-one Traditional Name: 3-(3,4-difluorobenzyl)-6-(3-phenylprop-1-ynyl)quinazolin-4-one Formula: C24H16F2N2O MolecularWeight: 386.393446

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C24H16F2N2O/c25-21-11-9-19(14-22(21)26)15-28-16-27-23-12-10-18(13-20(23)24(28)29)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-14,16H,7,15H2