4-bromanyl-3-fluoranyl-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide

Systemtic Name: 4-bromanyl-3-fluoranyl-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide Openeye Name: 4-bromo-3-fluoro-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)-7-quinolyl]benzamide CAS Name: 4-bromo-3-fluoro-N-[8-methyl-3-(1-pyrrolidinylmethyl)-7-quinolinyl]benzamide IUPAC Name: 4-bromo-3-fluoro-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide Traditional Name: 4-bromo-3-fluoro-N-[8-methyl-3-(pyrrolidinomethyl)-7-quinolyl]benzamide Formula: C22H21BrFN3O MolecularWeight: 442.324043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=CC(=CN=C12)CN3CCCC3)NC(=O)C4=CC(=C(C=C4)Br)F

Isomeric SMILES

CC1=C(C=CC2=CC(=CN=C12)CN3CCCC3)NC(=O)C4=CC(=C(C=C4)Br)F

InChI

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