4-[5,5-dimethyl-4-oxidanylidene-3-[4-(quinolin-2-ylmethoxy)phenyl]furan-2-yl]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[5,5-dimethyl-4-oxidanylidene-3-[4-(quinolin-2-ylmethoxy)phenyl]furan-2-yl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[5,5-dimethyl-4-oxo-3-[4-(2-quinolylmethoxy)phenyl]-2-furyl]-2-fluoro-benzonitrile CAS Name: 4-[5,5-dimethyl-4-oxo-3-[4-(2-quinolinylmethoxy)phenyl]-2-furanyl]-2-fluorobenzonitrile IUPAC Name: 4-[5,5-dimethyl-4-oxo-3-[4-(quinolin-2-ylmethoxy)phenyl]furan-2-yl]-2-fluorobenzonitrile Traditional Name: 2-fluoro-4-[4-keto-5,5-dimethyl-3-[4-(2-quinolylmethoxy)phenyl]-2-furyl]benzonitrile Formula: C29H21FN2O3 MolecularWeight: 464.487043

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C(=C(O1)C2=CC(=C(C=C2)C#N)F)C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)C

Isomeric SMILES

CC1(C(=O)C(=C(O1)C2=CC(=C(C=C2)C#N)F)C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)C

InChI

InChI=1S/C29H21FN2O3/c1-29(2)28(33)26(27(35-29)20-7-8-21(16-31)24(30)15-20)19-10-13-23(14-11-19)34-17-22-12-9-18-5-3-4-6-25(18)32-22/h3-15H,17H2,1-2H3