6-[3-fluoranyl-4-[(E)-6-oxidanylhept-1-enyl]phenyl]-1H-quinazolin-2-one

Systemtic Name: 6-[3-fluoranyl-4-[(E)-6-oxidanylhept-1-enyl]phenyl]-1H-quinazolin-2-one Openeye Name: 6-[3-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-quinazolin-2-one CAS Name: 6-[3-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-quinazolin-2-one IUPAC Name: 6-[3-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-quinazolin-2-one Traditional Name: 6-[3-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-quinazolin-2-one Formula: C21H21FN2O2 MolecularWeight: 352.402043

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC=CC1=C(C=C(C=C1)C2=CC3=C(C=C2)NC(=O)N=C3)F)O

Isomeric SMILES

CC(CCC/C=C/C1=C(C=C(C=C1)C2=CC3=C(C=C2)NC(=O)N=C3)F)O

InChI

InChI=1S/C21H21FN2O2/c1-14(25)5-3-2-4-6-15-7-8-17(12-19(15)22)16-9-10-20-18(11-16)13-23-21(26)24-20/h4,6-14,25H,2-3,5H2,1H3,(H,23,24,26)/b6-4+