N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-2-propan-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-2-propan-2-yl-quinoline-4-carboxamide Openeye Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-2-isopropyl-quinoline-4-carboxamide CAS Name: N-[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]-2-propan-2-yl-4-quinolinecarboxamide IUPAC Name: N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-2-propan-2-ylquinoline-4-carboxamide Traditional Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-2-isopropyl-cinchoninamide Formula: C21H19BrN4OS MolecularWeight: 455.37076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=NN3CC4=CC(=CS4)Br

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=NN3CC4=CC(=CS4)Br

InChI

InChI=1S/C21H19BrN4OS/c1-13(2)19-10-17(16-5-3-4-6-18(16)24-19)21(27)25-20-7-8-23-26(20)11-15-9-14(22)12-28-15/h3-10,12-13H,11H2,1-2H3,(H,25,27)