(4S)-7-oxidanylidene-4-phenyl-azepane-4-carbonitrile

Systemtic Name: (4S)-7-oxidanylidene-4-phenyl-azepane-4-carbonitrile Openeye Name: (4S)-7-oxo-4-phenyl-azepane-4-carbonitrile CAS Name: (4S)-7-oxo-4-phenyl-4-azepanecarbonitrile IUPAC Name: (4S)-7-oxo-4-phenylazepane-4-carbonitrile Traditional Name: (4S)-7-keto-4-phenyl-azepane-4-carbonitrile Formula: C13H14N2O MolecularWeight: 214.26306

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCNC1=O)(C#N)C2=CC=CC=C2

Isomeric SMILES

C1C[C@@](CCNC1=O)(C#N)C2=CC=CC=C2

InChI

InChI=1S/C13H14N2O/c14-10-13(11-4-2-1-3-5-11)7-6-12(16)15-9-8-13/h1-5H,6-9H2,(H,15,16)/t13-/m1/s1