3-[3-(6,6-dimethyl-5-oxidanylidene-7,8-dihydroquinolin-2-yl)-1,2-oxazol-5-yl]-5-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[3-(6,6-dimethyl-5-oxidanylidene-7,8-dihydroquinolin-2-yl)-1,2-oxazol-5-yl]-5-fluoranyl-benzenecarbonitrile Openeye Name: 3-[3-(6,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl)isoxazol-5-yl]-5-fluoro-benzonitrile CAS Name: 3-[3-(6,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl)-5-isoxazolyl]-5-fluorobenzonitrile IUPAC Name: 3-[3-(6,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl)-1,2-oxazol-5-yl]-5-fluorobenzonitrile Traditional Name: 3-fluoro-5-[3-(5-keto-6,6-dimethyl-7,8-dihydroquinolin-2-yl)isoxazol-5-yl]benzonitrile Formula: C21H16FN3O2 MolecularWeight: 361.369043

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(C1=O)C=CC(=N2)C3=NOC(=C3)C4=CC(=CC(=C4)C#N)F)C

Isomeric SMILES

CC1(CCC2=C(C1=O)C=CC(=N2)C3=NOC(=C3)C4=CC(=CC(=C4)C#N)F)C

InChI

InChI=1S/C21H16FN3O2/c1-21(2)6-5-16-15(20(21)26)3-4-17(24-16)18-10-19(27-25-18)13-7-12(11-23)8-14(22)9-13/h3-4,7-10H,5-6H2,1-2H3