3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]benzonitrile CAS Name: 3-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]benzonitrile Traditional Name: 3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]benzonitrile Formula: C15H18N2O MolecularWeight: 242.31622

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CC=CC(=C2)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O/c1-11-6-12(2)10-17(9-11)15(18)14-5-3-4-13(7-14)8-16/h3-5,7,11-12H,6,9-10H2,1-2H3/t11-,12-/m0/s1