N-[3-(azepan-1-ylmethyl)-8-methyl-quinolin-7-yl]-4-bromanyl-2-fluoranyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylmethyl)-8-methyl-quinolin-7-yl]-4-bromanyl-2-fluoranyl-benzamide Openeye Name: N-[3-(azepan-1-ylmethyl)-8-methyl-7-quinolyl]-4-bromo-2-fluoro-benzamide CAS Name: N-[3-(1-azepanylmethyl)-8-methyl-7-quinolinyl]-4-bromo-2-fluorobenzamide IUPAC Name: N-[3-(azepan-1-ylmethyl)-8-methylquinolin-7-yl]-4-bromo-2-fluorobenzamide Traditional Name: N-[3-(azepan-1-ylmethyl)-8-methyl-7-quinolyl]-4-bromo-2-fluoro-benzamide Formula: C24H25BrFN3O MolecularWeight: 470.377203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=CC(=CN=C12)CN3CCCCCC3)NC(=O)C4=C(C=C(C=C4)Br)F

Isomeric SMILES

CC1=C(C=CC2=CC(=CN=C12)CN3CCCCCC3)NC(=O)C4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C24H25BrFN3O/c1-16-22(28-24(30)20-8-7-19(25)13-21(20)26)9-6-18-12-17(14-27-23(16)18)15-29-10-4-2-3-5-11-29/h6-9,12-14H,2-5,10-11,15H2,1H3,(H,28,30)