2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]quinoline-4-carbonitrile

Systemtic Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]quinoline-4-carbonitrile Openeye Name: 2-[(3S,5S)-3,5-dimethyl-1-piperidyl]quinoline-4-carbonitrile CAS Name: 2-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-4-quinolinecarbonitrile IUPAC Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]quinoline-4-carbonitrile Traditional Name: 2-[(3S,5S)-3,5-dimethylpiperidino]cinchoninonitrile Formula: C17H19N3 MolecularWeight: 265.35286

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC3=CC=CC=C3C(=C2)C#N)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C2=NC3=CC=CC=C3C(=C2)C#N)C

InChI

InChI=1S/C17H19N3/c1-12-7-13(2)11-20(10-12)17-8-14(9-18)15-5-3-4-6-16(15)19-17/h3-6,8,12-13H,7,10-11H2,1-2H3/t12-,13-/m0/s1