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

Systemtic Name: 4-[(2E)-2-(5-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-6-methyl-4-oxidanylidene-3-phenethyl-1H-pyrimidin-5-yl]benzenecarbonitrile Openeye Name: 4-[(2E)-2-(5-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-6-methyl-4-oxo-3-phenethyl-1H-pyrimidin-5-yl]benzonitrile CAS Name: 4-[(2E)-2-(5-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)-6-methyl-4-oxo-3-phenethyl-1H-pyrimidin-5-yl]benzonitrile IUPAC Name: 4-[(2E)-2-(5-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-6-methyl-4-oxo-3-phenethyl-1H-pyrimidin-5-yl]benzonitrile Traditional Name: 4-[(2E)-2-(5-fluoro-6-keto-cyclohexa-2,4-dien-1-ylidene)-4-keto-6-methyl-3-phenethyl-1H-pyrimidin-5-yl]benzonitrile Formula: C26H20FN3O2 MolecularWeight: 425.454303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20FN3O2/c1-17-23(20-12-10-19(16-28)11-13-20)26(32)30(15-14-18-6-3-2-4-7-18)25(29-17)21-8-5-9-22(27)24(21)31/h2-13,29H,14-15H2,1H3/b25-21+