(2S,3S,4R)-3-ethyl-4-(2-oxidanylidenepropyl)-1-(phenylmethyl)piperidine-2-carbonitrile

Systemtic Name: (2S,3S,4R)-3-ethyl-4-(2-oxidanylidenepropyl)-1-(phenylmethyl)piperidine-2-carbonitrile Openeye Name: (2S,3S,4R)-4-acetonyl-1-benzyl-3-ethyl-piperidine-2-carbonitrile CAS Name: (2S,3S,4R)-3-ethyl-4-(2-oxopropyl)-1-(phenylmethyl)-2-piperidinecarbonitrile IUPAC Name: (2S,3S,4R)-1-benzyl-3-ethyl-4-(2-oxopropyl)piperidine-2-carbonitrile Traditional Name: (2S,3S,4R)-4-acetonyl-1-benzyl-3-ethyl-pipecolinonitrile Formula: C18H24N2O MolecularWeight: 284.39596

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CCN(C1C#N)CC2=CC=CC=C2)CC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O/c1-3-17-16(11-14(2)21)9-10-20(18(17)12-19)13-15-7-5-4-6-8-15/h4-8,16-18H,3,9-11,13H2,1-2H3/t16-,17+,18-/m1/s1