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

Systemtic Name: 3-[(2E)-2-(5-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-6-methyl-4-oxidanylidene-3-phenethyl-1H-pyrimidin-5-yl]-N,N-dimethyl-benzamide Openeye Name: 3-[(2E)-2-(5-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-6-methyl-4-oxo-3-phenethyl-1H-pyrimidin-5-yl]-N,N-dimethyl-benzamide CAS Name: 3-[(2E)-2-(5-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)-6-methyl-4-oxo-3-phenethyl-1H-pyrimidin-5-yl]-N,N-dimethylbenzamide IUPAC Name: 3-[(2E)-2-(5-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-6-methyl-4-oxo-3-phenethyl-1H-pyrimidin-5-yl]-N,N-dimethylbenzamide Traditional Name: 3-[(2E)-2-(5-fluoro-6-keto-cyclohexa-2,4-dien-1-ylidene)-4-keto-6-methyl-3-phenethyl-1H-pyrimidin-5-yl]-N,N-dimethyl-benzamide Formula: C28H26FN3O3 MolecularWeight: 471.522743

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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(=CC=C4)C(=O)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H26FN3O3/c1-18-24(20-11-7-12-21(17-20)27(34)31(2)3)28(35)32(16-15-19-9-5-4-6-10-19)26(30-18)22-13-8-14-23(29)25(22)33/h4-14,17,30H,15-16H2,1-3H3/b26-22+