(2E)-2-(5-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-6-methyl-3-phenethyl-5-quinolin-6-yl-1H-pyrimidin-4-one

Systemtic Name: (2E)-2-(5-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-6-methyl-3-phenethyl-5-quinolin-6-yl-1H-pyrimidin-4-one Openeye Name: (2E)-2-(5-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-6-methyl-3-phenethyl-5-(6-quinolyl)-1H-pyrimidin-4-one CAS Name: (2E)-2-(5-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)-6-methyl-3-phenethyl-5-(6-quinolinyl)-1H-pyrimidin-4-one IUPAC Name: (2E)-2-(5-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-6-methyl-3-phenethyl-5-quinolin-6-yl-1H-pyrimidin-4-one Traditional Name: (2E)-2-(5-fluoro-6-keto-cyclohexa-2,4-dien-1-ylidene)-6-methyl-3-phenethyl-5-(6-quinolyl)-1H-pyrimidin-4-one Formula: C28H22FN3O2 MolecularWeight: 451.491583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C2C=CC=C(C2=O)F)N1)CCC3=CC=CC=C3)C4=CC5=C(C=C4)N=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(/C(=C/2\C=CC=C(C2=O)F)/N1)CCC3=CC=CC=C3)C4=CC5=C(C=C4)N=CC=C5

InChI

InChI=1S/C28H22FN3O2/c1-18-25(21-12-13-24-20(17-21)9-6-15-30-24)28(34)32(16-14-19-7-3-2-4-8-19)27(31-18)22-10-5-11-23(29)26(22)33/h2-13,15,17,31H,14,16H2,1H3/b27-22+