3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]benzonitrile CAS Name: 3-[[(2S,6S)-2,6-dimethyl-1-piperidinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]benzonitrile Traditional Name: 3-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]benzonitrile Formula: C15H18N2O MolecularWeight: 242.31622

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)C2=CC=CC(=C2)C#N)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C(=O)C2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C15H18N2O/c1-11-5-3-6-12(2)17(11)15(18)14-8-4-7-13(9-14)10-16/h4,7-9,11-12H,3,5-6H2,1-2H3/t11-,12-/m0/s1