6-[(2S)-butan-2-yl]-4-oxidanylidene-1H-quinoline-3-carbonitrile

Systemtic Name: 6-[(2S)-butan-2-yl]-4-oxidanylidene-1H-quinoline-3-carbonitrile Openeye Name: 6-[(1S)-1-methylpropyl]-4-oxo-1H-quinoline-3-carbonitrile CAS Name: 6-[(2S)-butan-2-yl]-4-oxo-1H-quinoline-3-carbonitrile IUPAC Name: 6-[(2S)-butan-2-yl]-4-oxo-1H-quinoline-3-carbonitrile Traditional Name: 4-keto-6-[(1S)-1-methylpropyl]-1H-quinoline-3-carbonitrile Formula: C14H14N2O MolecularWeight: 226.27376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)NC=C(C2=O)C#N

Isomeric SMILES

CC[C@H](C)C1=CC2=C(C=C1)NC=C(C2=O)C#N

InChI

InChI=1S/C14H14N2O/c1-3-9(2)10-4-5-13-12(6-10)14(17)11(7-15)8-16-13/h4-6,8-9H,3H2,1-2H3,(H,16,17)/t9-/m0/s1