[6-bromanyl-2-(4-tert-butylphenyl)quinolin-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [6-bromanyl-2-(4-tert-butylphenyl)quinolin-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone Openeye Name: [6-bromo-2-(4-tert-butylphenyl)-4-quinolyl]-[4-(2-thienylmethyl)piperazin-1-yl]methanone CAS Name: [6-bromo-2-(4-tert-butylphenyl)-4-quinolinyl]-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methanone IUPAC Name: [6-bromo-2-(4-tert-butylphenyl)quinolin-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone Traditional Name: [6-bromo-2-(4-tert-butylphenyl)-4-quinolyl]-[4-(2-thenyl)piperazino]methanone Formula: C29H30BrN3OS MolecularWeight: 548.537

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)CC5=CC=CS5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)CC5=CC=CS5

InChI

InChI=1S/C29H30BrN3OS/c1-29(2,3)21-8-6-20(7-9-21)27-18-25(24-17-22(30)10-11-26(24)31-27)28(34)33-14-12-32(13-15-33)19-23-5-4-16-35-23/h4-11,16-18H,12-15,19H2,1-3H3