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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC(=N2)C3=NOC(=C3)C4=CC(=CC(=C4)C#N)F)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C=CC(=N2)C3=NOC(=C3)C4=CC(=CC(=C4)C#N)F)C(=O)C1)C

InChI

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