6-chloranyl-N-(3-ethylpent-1-yn-3-yl)-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: 6-chloranyl-N-(3-ethylpent-1-yn-3-yl)-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: 6-chloro-N-(1,1-diethylprop-2-ynyl)-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: 6-chloro-N-(3-ethylpent-1-yn-3-yl)-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: 6-chloro-N-(3-ethylpent-1-yn-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: 6-chloro-N-(1,1-diethylprop-2-ynyl)-2-(4-pyridyl)cinchoninamide Formula: C22H20ClN3O MolecularWeight: 377.8667

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C1=CC(=NC2=C1C=C(C=C2)Cl)C3=CC=NC=C3

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C1=CC(=NC2=C1C=C(C=C2)Cl)C3=CC=NC=C3

InChI

InChI=1S/C22H20ClN3O/c1-4-22(5-2,6-3)26-21(27)18-14-20(15-9-11-24-12-10-15)25-19-8-7-16(23)13-17(18)19/h1,7-14H,5-6H2,2-3H3,(H,26,27)