2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-3-(4-fluorophenyl)quinazolin-4-one

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-3-(4-fluorophenyl)quinazolin-4-one Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-3-(4-fluorophenyl)quinazolin-4-one CAS Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-3-(4-fluorophenyl)-4-quinazolinone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-3-(4-fluorophenyl)quinazolin-4-one Traditional Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-3-(4-fluorophenyl)quinazolin-4-one Formula: C24H19FN2O3S MolecularWeight: 434.482663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F)OC1

InChI

InChI=1S/C24H19FN2O3S/c25-16-6-8-17(9-7-16)27-23(26-20-5-2-1-4-19(20)24(27)28)15-31-18-10-11-21-22(14-18)30-13-3-12-29-21/h1-2,4-11,14H,3,12-13,15H2