[6-bromanyl-2-(4-butylphenyl)quinolin-4-yl]-(4-butylpiperazin-1-yl)methanone

Systemtic Name: [6-bromanyl-2-(4-butylphenyl)quinolin-4-yl]-(4-butylpiperazin-1-yl)methanone Openeye Name: [6-bromo-2-(4-butylphenyl)-4-quinolyl]-(4-butylpiperazin-1-yl)methanone CAS Name: [6-bromo-2-(4-butylphenyl)-4-quinolinyl]-(4-butyl-1-piperazinyl)methanone IUPAC Name: [6-bromo-2-(4-butylphenyl)quinolin-4-yl]-(4-butylpiperazin-1-yl)methanone Traditional Name: [6-bromo-2-(4-butylphenyl)-4-quinolyl]-(4-butylpiperazino)methanone Formula: C28H34BrN3O MolecularWeight: 508.49306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)CCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)CCCC

InChI

InChI=1S/C28H34BrN3O/c1-3-5-7-21-8-10-22(11-9-21)27-20-25(24-19-23(29)12-13-26(24)30-27)28(33)32-17-15-31(16-18-32)14-6-4-2/h8-13,19-20H,3-7,14-18H2,1-2H3