[6-bromanyl-2-(5-ethylthiophen-2-yl)quinolin-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone

Systemtic Name: [6-bromanyl-2-(5-ethylthiophen-2-yl)quinolin-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone Openeye Name: [6-bromo-2-(5-ethyl-2-thienyl)-4-quinolyl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone CAS Name: [6-bromo-2-(5-ethyl-2-thiophenyl)-4-quinolinyl]-[4-(2-ethoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [6-bromo-2-(5-ethylthiophen-2-yl)quinolin-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone Traditional Name: [6-bromo-2-(5-ethyl-2-thienyl)-4-quinolyl]-(4-o-phenetylpiperazino)methanone Formula: C28H28BrN3O2S MolecularWeight: 550.50982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=C5OCC

Isomeric SMILES

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=C5OCC

InChI

InChI=1S/C28H28BrN3O2S/c1-3-20-10-12-27(35-20)24-18-22(21-17-19(29)9-11-23(21)30-24)28(33)32-15-13-31(14-16-32)25-7-5-6-8-26(25)34-4-2/h5-12,17-18H,3-4,13-16H2,1-2H3