(2S)-3-oxidanylidene-3-phenyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)propanenitrile

Systemtic Name: (2S)-3-oxidanylidene-3-phenyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)propanenitrile Openeye Name: (2S)-3-oxo-3-phenyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)propanenitrile CAS Name: (2S)-3-oxo-3-phenyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)propanenitrile IUPAC Name: (2S)-3-oxo-3-phenyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)propanenitrile Traditional Name: (2S)-3-keto-3-phenyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)propionitrile Formula: C15H16N2O MolecularWeight: 240.30034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)C(C#N)C(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCC(=NCC1)[C@@H](C#N)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H16N2O/c16-11-13(14-9-5-2-6-10-17-14)15(18)12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-10H2/t13-/m1/s1