N-[2-[(5-chloranylpyridin-2-yl)carbamoyl]-4-[(E)-2-cyanoethenyl]phenyl]piperidine-4-carboxamide

Systemtic Name: N-[2-[(5-chloranylpyridin-2-yl)carbamoyl]-4-[(E)-2-cyanoethenyl]phenyl]piperidine-4-carboxamide Openeye Name: N-[2-[(5-chloro-2-pyridyl)carbamoyl]-4-[(E)-2-cyanovinyl]phenyl]piperidine-4-carboxamide CAS Name: N-[2-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-4-[(E)-2-cyanoethenyl]phenyl]-4-piperidinecarboxamide IUPAC Name: N-[2-[(5-chloropyridin-2-yl)carbamoyl]-4-[(E)-2-cyanoethenyl]phenyl]piperidine-4-carboxamide Traditional Name: N-[2-[(5-chloro-2-pyridyl)carbamoyl]-4-[(E)-2-cyanovinyl]phenyl]isonipecotamide Formula: C21H20ClN5O2 MolecularWeight: 409.8688

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)NC2=C(C=C(C=C2)C=CC#N)C(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

C1CNCCC1C(=O)NC2=C(C=C(C=C2)/C=C/C#N)C(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN5O2/c22-16-4-6-19(25-13-16)27-21(29)17-12-14(2-1-9-23)3-5-18(17)26-20(28)15-7-10-24-11-8-15/h1-6,12-13,15,24H,7-8,10-11H2,(H,26,28)(H,25,27,29)/b2-1+