7-chloranyl-N-(3-ethylpent-1-yn-3-yl)-8-methyl-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: 7-chloranyl-N-(3-ethylpent-1-yn-3-yl)-8-methyl-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: 7-chloro-N-(1,1-diethylprop-2-ynyl)-8-methyl-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: 7-chloro-N-(3-ethylpent-1-yn-3-yl)-8-methyl-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: 7-chloro-N-(3-ethylpent-1-yn-3-yl)-8-methyl-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: 7-chloro-N-(1,1-diethylprop-2-ynyl)-8-methyl-2-(4-pyridyl)cinchoninamide Formula: C23H22ClN3O MolecularWeight: 391.89328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C1=CC(=NC2=C1C=CC(=C2C)Cl)C3=CC=NC=C3

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C1=CC(=NC2=C1C=CC(=C2C)Cl)C3=CC=NC=C3

InChI

InChI=1S/C23H22ClN3O/c1-5-23(6-2,7-3)27-22(28)18-14-20(16-10-12-25-13-11-16)26-21-15(4)19(24)9-8-17(18)21/h1,8-14H,6-7H2,2-4H3,(H,27,28)