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

Systemtic Name: 3-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(3-pyridin-4-yloxyprop-1-ynyl)quinazolin-4-one Openeye Name: 3-[(3,4-difluorophenyl)methyl]-6-[3-(4-pyridyloxy)prop-1-ynyl]quinazolin-4-one CAS Name: 3-[(3,4-difluorophenyl)methyl]-6-(3-pyridin-4-yloxyprop-1-ynyl)-4-quinazolinone IUPAC Name: 3-[(3,4-difluorophenyl)methyl]-6-(3-pyridin-4-yloxyprop-1-ynyl)quinazolin-4-one Traditional Name: 3-(3,4-difluorobenzyl)-6-[3-(4-pyridyloxy)prop-1-ynyl]quinazolin-4-one Formula: C23H15F2N3O2 MolecularWeight: 403.380906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CN2C=NC3=C(C2=O)C=C(C=C3)C#CCOC4=CC=NC=C4)F)F

Isomeric SMILES

C1=CC(=C(C=C1CN2C=NC3=C(C2=O)C=C(C=C3)C#CCOC4=CC=NC=C4)F)F

InChI

InChI=1S/C23H15F2N3O2/c24-20-5-3-17(13-21(20)25)14-28-15-27-22-6-4-16(12-19(22)23(28)29)2-1-11-30-18-7-9-26-10-8-18/h3-10,12-13,15H,11,14H2