N'-(5-chloranyl-2-cyano-phenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]ethanediamide

Systemtic Name: N'-(5-chloranyl-2-cyano-phenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]ethanediamide Openeye Name: N'-(5-chloro-2-cyano-phenyl)-N-[[1-(4-pyridylmethyl)-4-piperidyl]methyl]oxamide CAS Name: N'-(5-chloro-2-cyanophenyl)-N-[[1-(pyridin-4-ylmethyl)-4-piperidinyl]methyl]oxamide IUPAC Name: N'-(5-chloro-2-cyanophenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide Traditional Name: N'-(5-chloro-2-cyano-phenyl)-N-[[1-(4-pyridylmethyl)-4-piperidyl]methyl]oxamide Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC(=O)C(=O)NC2=C(C=CC(=C2)Cl)C#N)CC3=CC=NC=C3

Isomeric SMILES

C1CN(CCC1CNC(=O)C(=O)NC2=C(C=CC(=C2)Cl)C#N)CC3=CC=NC=C3

InChI

InChI=1S/C21H22ClN5O2/c22-18-2-1-17(12-23)19(11-18)26-21(29)20(28)25-13-15-5-9-27(10-6-15)14-16-3-7-24-8-4-16/h1-4,7-8,11,15H,5-6,9-10,13-14H2,(H,25,28)(H,26,29)