2-(5-ethylthiophen-2-yl)-N-(4-pyrrolidin-1-ylcarbonylphenyl)quinoline-4-carboxamide

Systemtic Name: 2-(5-ethylthiophen-2-yl)-N-(4-pyrrolidin-1-ylcarbonylphenyl)quinoline-4-carboxamide Openeye Name: 2-(5-ethyl-2-thienyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]quinoline-4-carboxamide CAS Name: 2-(5-ethyl-2-thiophenyl)-N-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(5-ethylthiophen-2-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]quinoline-4-carboxamide Traditional Name: 2-(5-ethyl-2-thienyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]cinchoninamide Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)C(=O)N5CCCC5

Isomeric SMILES

CCC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)C(=O)N5CCCC5

InChI

InChI=1S/C27H25N3O2S/c1-2-20-13-14-25(33-20)24-17-22(21-7-3-4-8-23(21)29-24)26(31)28-19-11-9-18(10-12-19)27(32)30-15-5-6-16-30/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,28,31)