6-fluoranyl-3-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one

Systemtic Name: 6-fluoranyl-3-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 6-fluoro-3-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 6-fluoro-3-[2-[2-(4-methoxyphenyl)-1-azepanyl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 6-fluoro-3-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 6-fluoro-3-[2-keto-2-[2-(4-methoxyphenyl)azepan-1-yl]ethyl]quinazolin-4-one Formula: C23H24FN3O3 MolecularWeight: 409.453363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)F

InChI

InChI=1S/C23H24FN3O3/c1-30-18-9-6-16(7-10-18)21-5-3-2-4-12-27(21)22(28)14-26-15-25-20-11-8-17(24)13-19(20)23(26)29/h6-11,13,15,21H,2-5,12,14H2,1H3