7-(azepan-1-yl)-6-fluoranyl-3-(4-methoxyphenyl)sulfonyl-1-propyl-quinolin-4-one

Systemtic Name: 7-(azepan-1-yl)-6-fluoranyl-3-(4-methoxyphenyl)sulfonyl-1-propyl-quinolin-4-one Openeye Name: 7-(azepan-1-yl)-6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-propyl-quinolin-4-one CAS Name: 7-(1-azepanyl)-6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-propyl-4-quinolinone IUPAC Name: 7-(azepan-1-yl)-6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-propylquinolin-4-one Traditional Name: 7-(azepan-1-yl)-6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-propyl-4-quinolone Formula: C25H29FN2O4S MolecularWeight: 472.572163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCCCCC3)F)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCCCCC3)F)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H29FN2O4S/c1-3-12-28-17-24(33(30,31)19-10-8-18(32-2)9-11-19)25(29)20-15-21(26)23(16-22(20)28)27-13-6-4-5-7-14-27/h8-11,15-17H,3-7,12-14H2,1-2H3