N-[3-(azepan-1-ylmethyl)-6-methyl-quinolin-7-yl]-4-bromanyl-2-fluoranyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylmethyl)-6-methyl-quinolin-7-yl]-4-bromanyl-2-fluoranyl-benzamide Openeye Name: N-[3-(azepan-1-ylmethyl)-6-methyl-7-quinolyl]-4-bromo-2-fluoro-benzamide CAS Name: N-[3-(1-azepanylmethyl)-6-methyl-7-quinolinyl]-4-bromo-2-fluorobenzamide IUPAC Name: N-[3-(azepan-1-ylmethyl)-6-methylquinolin-7-yl]-4-bromo-2-fluorobenzamide Traditional Name: N-[3-(azepan-1-ylmethyl)-6-methyl-7-quinolyl]-4-bromo-2-fluoro-benzamide Formula: C24H25BrFN3O MolecularWeight: 470.377203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=CN=C2C=C1NC(=O)C3=C(C=C(C=C3)Br)F)CN4CCCCCC4

Isomeric SMILES

CC1=CC2=CC(=CN=C2C=C1NC(=O)C3=C(C=C(C=C3)Br)F)CN4CCCCCC4

InChI

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