N-(2-chloranyl-4,6-dimethyl-phenyl)-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-1-(5-cyano-2-pyridyl)piperidine-4-carboxamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-1-(5-cyano-2-pyridinyl)-4-piperidinecarboxamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-1-(5-cyano-2-pyridyl)isonipecotamide Formula: C20H21ClN4O MolecularWeight: 368.85994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N)C

InChI

InChI=1S/C20H21ClN4O/c1-13-9-14(2)19(17(21)10-13)24-20(26)16-5-7-25(8-6-16)18-4-3-15(11-22)12-23-18/h3-4,9-10,12,16H,5-8H2,1-2H3,(H,24,26)