N-(1-pyrrolidin-1-yl-1-thiophen-2-yl-propan-2-yl)-2-[2,3,4-tris(chloranyl)phenyl]quinoline-4-carboxamide

Systemtic Name: N-(1-pyrrolidin-1-yl-1-thiophen-2-yl-propan-2-yl)-2-[2,3,4-tris(chloranyl)phenyl]quinoline-4-carboxamide Openeye Name: N-[1-methyl-2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]-2-(2,3,4-trichlorophenyl)quinoline-4-carboxamide CAS Name: N-[1-(1-pyrrolidinyl)-1-thiophen-2-ylpropan-2-yl]-2-(2,3,4-trichlorophenyl)-4-quinolinecarboxamide IUPAC Name: N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)-2-(2,3,4-trichlorophenyl)quinoline-4-carboxamide Traditional Name: N-[1-methyl-2-pyrrolidino-2-(2-thienyl)ethyl]-2-(2,3,4-trichlorophenyl)cinchoninamide Formula: C27H24Cl3N3OS MolecularWeight: 544.92296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=C(C(=C(C=C5)Cl)Cl)Cl

Isomeric SMILES

CC(C(C1=CC=CS1)N2CCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=C(C(=C(C=C5)Cl)Cl)Cl

InChI

InChI=1S/C27H24Cl3N3OS/c1-16(26(23-9-6-14-35-23)33-12-4-5-13-33)31-27(34)19-15-22(32-21-8-3-2-7-17(19)21)18-10-11-20(28)25(30)24(18)29/h2-3,6-11,14-16,26H,4-5,12-13H2,1H3,(H,31,34)