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

Systemtic Name: 3-[(3S)-8-tert-butyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanenitrile Openeye Name: 3-[(3S)-8-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanenitrile CAS Name: 3-[(3S)-8-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanenitrile IUPAC Name: 3-[(3S)-8-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanenitrile Traditional Name: 3-[(3S)-8-tert-butyl-2-keto-3,4-dihydro-1H-quinolin-3-yl]propionitrile Formula: C16H20N2O MolecularWeight: 256.3428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC2=C1NC(=O)C(C2)CCC#N

Isomeric SMILES

CC(C)(C)C1=CC=CC2=C1NC(=O)[C@H](C2)CCC#N

InChI

InChI=1S/C16H20N2O/c1-16(2,3)13-8-4-6-11-10-12(7-5-9-17)15(19)18-14(11)13/h4,6,8,12H,5,7,10H2,1-3H3,(H,18,19)/t12-/m0/s1