4-bromanyl-3-fluoranyl-N-[6-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide

Systemtic Name: 4-bromanyl-3-fluoranyl-N-[6-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide Openeye Name: 4-bromo-3-fluoro-N-[6-methyl-3-(pyrrolidin-1-ylmethyl)-7-quinolyl]benzamide CAS Name: 4-bromo-3-fluoro-N-[6-methyl-3-(1-pyrrolidinylmethyl)-7-quinolinyl]benzamide IUPAC Name: 4-bromo-3-fluoro-N-[6-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide Traditional Name: 4-bromo-3-fluoro-N-[6-methyl-3-(pyrrolidinomethyl)-7-quinolyl]benzamide Formula: C22H21BrFN3O MolecularWeight: 442.324043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=CN=C2C=C1NC(=O)C3=CC(=C(C=C3)Br)F)CN4CCCC4

Isomeric SMILES

CC1=CC2=CC(=CN=C2C=C1NC(=O)C3=CC(=C(C=C3)Br)F)CN4CCCC4

InChI

InChI=1S/C22H21BrFN3O/c1-14-8-17-9-15(13-27-6-2-3-7-27)12-25-21(17)11-20(14)26-22(28)16-4-5-18(23)19(24)10-16/h4-5,8-12H,2-3,6-7,13H2,1H3,(H,26,28)