6-chloranyl-N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: 6-chloranyl-N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: 6-chloro-N-[4,5-dimethyl-3-(3-pyridylmethylcarbamoyl)-2-thienyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 6-chloro-N-[4,5-dimethyl-3-[oxo-(3-pyridinylmethylamino)methyl]-2-thiophenyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-chloro-N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-chloro-N-[4,5-dimethyl-3-(3-pyridylmethylcarbamoyl)-2-thienyl]-2-(3-pyridyl)cinchoninamide Formula: C28H22ClN5O2S MolecularWeight: 528.02458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)NCC2=CN=CC=C2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CN=CC=C5)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)NCC2=CN=CC=C2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CN=CC=C5)C

InChI

InChI=1S/C28H22ClN5O2S/c1-16-17(2)37-28(25(16)27(36)32-14-18-5-3-9-30-13-18)34-26(35)22-12-24(19-6-4-10-31-15-19)33-23-8-7-20(29)11-21(22)23/h3-13,15H,14H2,1-2H3,(H,32,36)(H,34,35)