3-[(3S)-7,8-dimethyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanenitrile

Systemtic Name: 3-[(3S)-7,8-dimethyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanenitrile Openeye Name: 3-[(3S)-7,8-dimethyl-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanenitrile CAS Name: 3-[(3S)-7,8-dimethyl-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanenitrile IUPAC Name: 3-[(3S)-7,8-dimethyl-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanenitrile Traditional Name: 3-[(3S)-2-keto-7,8-dimethyl-3,4-dihydro-1H-quinolin-3-yl]propionitrile Formula: C14H16N2O MolecularWeight: 228.28964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(CC(C(=O)N2)CCC#N)C=C1)C

Isomeric SMILES

CC1=C(C2=C(C[C@@H](C(=O)N2)CCC#N)C=C1)C

InChI

InChI=1S/C14H16N2O/c1-9-5-6-11-8-12(4-3-7-15)14(17)16-13(11)10(9)2/h5-6,12H,3-4,8H2,1-2H3,(H,16,17)/t12-/m0/s1