[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C20H19IN4O3 MolecularWeight: 490.29433

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC(=CC=C2)I)C3=NC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC(=CC=C2)I)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C20H19IN4O3/c21-16-2-1-3-17(10-16)24-19(26)13-28-20(27)15-6-8-25(9-7-15)18-5-4-14(11-22)12-23-18/h1-5,10,12,15H,6-9,13H2,(H,24,26)