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

Systemtic Name: 3-[3-(6,6-dimethyl-5-oxidanylidene-7,8-dihydroquinolin-2-yl)-1,2-oxazol-5-yl]benzenecarbonitrile Openeye Name: 3-[3-(6,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl)isoxazol-5-yl]benzonitrile CAS Name: 3-[3-(6,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl)-5-isoxazolyl]benzonitrile IUPAC Name: 3-[3-(6,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl)-1,2-oxazol-5-yl]benzonitrile Traditional Name: 3-[3-(5-keto-6,6-dimethyl-7,8-dihydroquinolin-2-yl)isoxazol-5-yl]benzonitrile Formula: C21H17N3O2 MolecularWeight: 343.37858

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O2/c1-21(2)9-8-16-15(20(21)25)6-7-17(23-16)18-11-19(26-24-18)14-5-3-4-13(10-14)12-22/h3-7,10-11H,8-9H2,1-2H3