3-[[3,4-bis(fluoranyl)phenyl]methyl]-1-methyl-6-(3-phenylprop-1-ynyl)-4H-quinazolin-2-one

Systemtic Name: 3-[[3,4-bis(fluoranyl)phenyl]methyl]-1-methyl-6-(3-phenylprop-1-ynyl)-4H-quinazolin-2-one Openeye Name: 3-[(3,4-difluorophenyl)methyl]-1-methyl-6-(3-phenylprop-1-ynyl)-4H-quinazolin-2-one CAS Name: 3-[(3,4-difluorophenyl)methyl]-1-methyl-6-(3-phenylprop-1-ynyl)-4H-quinazolin-2-one IUPAC Name: 3-[(3,4-difluorophenyl)methyl]-1-methyl-6-(3-phenylprop-1-ynyl)-4H-quinazolin-2-one Traditional Name: 3-(3,4-difluorobenzyl)-1-methyl-6-(3-phenylprop-1-ynyl)-4H-quinazolin-2-one Formula: C25H20F2N2O MolecularWeight: 402.435906

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CN(C1=O)CC3=CC(=C(C=C3)F)F)C=C(C=C2)C#CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(CN(C1=O)CC3=CC(=C(C=C3)F)F)C=C(C=C2)C#CCC4=CC=CC=C4

InChI

InChI=1S/C25H20F2N2O/c1-28-24-13-11-19(9-5-8-18-6-3-2-4-7-18)14-21(24)17-29(25(28)30)16-20-10-12-22(26)23(27)15-20/h2-4,6-7,10-15H,8,16-17H2,1H3