(2S,4S)-4-(2-oxidanylidenepropyl)-1-(phenylmethyl)piperidine-2-carbonitrile

Systemtic Name: (2S,4S)-4-(2-oxidanylidenepropyl)-1-(phenylmethyl)piperidine-2-carbonitrile Openeye Name: (2S,4S)-4-acetonyl-1-benzyl-piperidine-2-carbonitrile CAS Name: (2S,4S)-4-(2-oxopropyl)-1-(phenylmethyl)-2-piperidinecarbonitrile IUPAC Name: (2S,4S)-1-benzyl-4-(2-oxopropyl)piperidine-2-carbonitrile Traditional Name: (2S,4S)-4-acetonyl-1-benzyl-pipecolinonitrile Formula: C16H20N2O MolecularWeight: 256.3428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1CCN(C(C1)C#N)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)C[C@H]1CCN([C@@H](C1)C#N)CC2=CC=CC=C2

InChI

InChI=1S/C16H20N2O/c1-13(19)9-15-7-8-18(16(10-15)11-17)12-14-5-3-2-4-6-14/h2-6,15-16H,7-10,12H2,1H3/t15-,16+/m1/s1