8-chloranyl-N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-thiophen-2-yl]-2-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: 8-chloranyl-N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-thiophen-2-yl]-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: 8-chloro-N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: 8-chloro-N-[3-cyano-5-[diethylamino(oxo)methyl]-4-methyl-2-thiophenyl]-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 8-chloro-N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: 8-chloro-N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]-2-(2-pyridyl)cinchoninamide Formula: C26H22ClN5O2S MolecularWeight: 504.00318

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=C2C=CC=C3Cl)C4=CC=CC=N4)C#N)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=C2C=CC=C3Cl)C4=CC=CC=N4)C#N)C

InChI

InChI=1S/C26H22ClN5O2S/c1-4-32(5-2)26(34)23-15(3)18(14-28)25(35-23)31-24(33)17-13-21(20-11-6-7-12-29-20)30-22-16(17)9-8-10-19(22)27/h6-13H,4-5H2,1-3H3,(H,31,33)