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

Systemtic Name: 3-[[3,4-bis(fluoranyl)phenyl]methyl]-6-[3-(4-methoxyphenyl)prop-1-ynyl]quinazolin-4-one Openeye Name: 3-[(3,4-difluorophenyl)methyl]-6-[3-(4-methoxyphenyl)prop-1-ynyl]quinazolin-4-one CAS Name: 3-[(3,4-difluorophenyl)methyl]-6-[3-(4-methoxyphenyl)prop-1-ynyl]-4-quinazolinone IUPAC Name: 3-[(3,4-difluorophenyl)methyl]-6-[3-(4-methoxyphenyl)prop-1-ynyl]quinazolin-4-one Traditional Name: 3-(3,4-difluorobenzyl)-6-[3-(4-methoxyphenyl)prop-1-ynyl]quinazolin-4-one Formula: C25H18F2N2O2 MolecularWeight: 416.419426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC#CC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC(=C(C=C4)F)F

Isomeric SMILES

COC1=CC=C(C=C1)CC#CC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC(=C(C=C4)F)F

InChI

InChI=1S/C25H18F2N2O2/c1-31-20-9-5-17(6-10-20)3-2-4-18-8-12-24-21(13-18)25(30)29(16-28-24)15-19-7-11-22(26)23(27)14-19/h5-14,16H,3,15H2,1H3