6-[[(2S,5S)-1-(3-fluoranyl-2-methoxy-phenyl)carbonyl-5-methyl-piperidin-2-yl]methylamino]pyridine-3-carbonitrile

Systemtic Name: 6-[[(2S,5S)-1-(3-fluoranyl-2-methoxy-phenyl)carbonyl-5-methyl-piperidin-2-yl]methylamino]pyridine-3-carbonitrile Openeye Name: 6-[[(2S,5S)-1-(3-fluoro-2-methoxy-benzoyl)-5-methyl-2-piperidyl]methylamino]pyridine-3-carbonitrile CAS Name: 6-[[(2S,5S)-1-[(3-fluoro-2-methoxyphenyl)-oxomethyl]-5-methyl-2-piperidinyl]methylamino]-3-pyridinecarbonitrile IUPAC Name: 6-[[(2S,5S)-1-(3-fluoro-2-methoxybenzoyl)-5-methylpiperidin-2-yl]methylamino]pyridine-3-carbonitrile Traditional Name: 6-[[(2S,5S)-1-(3-fluoro-2-methoxy-benzoyl)-5-methyl-2-piperidyl]methylamino]nicotinonitrile Formula: C21H23FN4O2 MolecularWeight: 382.431323

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N(C1)C(=O)C2=C(C(=CC=C2)F)OC)CNC3=NC=C(C=C3)C#N

Isomeric SMILES

C[C@H]1CC[C@H](N(C1)C(=O)C2=C(C(=CC=C2)F)OC)CNC3=NC=C(C=C3)C#N

InChI

InChI=1S/C21H23FN4O2/c1-14-6-8-16(12-25-19-9-7-15(10-23)11-24-19)26(13-14)21(27)17-4-3-5-18(22)20(17)28-2/h3-5,7,9,11,14,16H,6,8,12-13H2,1-2H3,(H,24,25)/t14-,16-/m0/s1