(2R)-4-(azepan-1-yl)-3-oxidanylidene-2-phenyl-butanenitrile

Systemtic Name: (2R)-4-(azepan-1-yl)-3-oxidanylidene-2-phenyl-butanenitrile Openeye Name: (2R)-4-(azepan-1-yl)-3-oxo-2-phenyl-butanenitrile CAS Name: (2R)-4-(1-azepanyl)-3-oxo-2-phenylbutanenitrile IUPAC Name: (2R)-4-(azepan-1-yl)-3-oxo-2-phenylbutanenitrile Traditional Name: (2R)-4-(azepan-1-yl)-3-keto-2-phenyl-butyronitrile Formula: C16H20N2O MolecularWeight: 256.3428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(=O)C(C#N)C2=CC=CC=C2

Isomeric SMILES

C1CCCN(CC1)CC(=O)[C@@H](C#N)C2=CC=CC=C2

InChI

InChI=1S/C16H20N2O/c17-12-15(14-8-4-3-5-9-14)16(19)13-18-10-6-1-2-7-11-18/h3-5,8-9,15H,1-2,6-7,10-11,13H2/t15-/m0/s1