N-(4-acetamido-3-chloranyl-phenyl)-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(4-acetamido-3-chloranyl-phenyl)-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide Openeye Name: N-(4-acetamido-3-chloro-phenyl)-1-(5-cyano-2-pyridyl)piperidine-4-carboxamide CAS Name: N-(4-acetamido-3-chlorophenyl)-1-(5-cyano-2-pyridinyl)-4-piperidinecarboxamide IUPAC Name: N-(4-acetamido-3-chlorophenyl)-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide Traditional Name: N-(4-acetamido-3-chloro-phenyl)-1-(5-cyano-2-pyridyl)isonipecotamide Formula: C20H20ClN5O2 MolecularWeight: 397.8581

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H20ClN5O2/c1-13(27)24-18-4-3-16(10-17(18)21)25-20(28)15-6-8-26(9-7-15)19-5-2-14(11-22)12-23-19/h2-5,10,12,15H,6-9H2,1H3,(H,24,27)(H,25,28)