6-bromanyl-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: 6-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-bromo-N-[3-(2-ketopyrrolidino)propyl]-2-(3-pyridyl)cinchoninamide Formula: C22H21BrN4O2 MolecularWeight: 453.33174

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CN=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)CCCNC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CN=CC=C4

InChI

InChI=1S/C22H21BrN4O2/c23-16-6-7-19-17(12-16)18(13-20(26-19)15-4-1-8-24-14-15)22(29)25-9-3-11-27-10-2-5-21(27)28/h1,4,6-8,12-14H,2-3,5,9-11H2,(H,25,29)