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

Systemtic Name: [6-bromanyl-2-(4-methoxyphenyl)quinolin-4-yl]-(4-butylpiperazin-1-yl)methanone Openeye Name: [6-bromo-2-(4-methoxyphenyl)-4-quinolyl]-(4-butylpiperazin-1-yl)methanone CAS Name: [6-bromo-2-(4-methoxyphenyl)-4-quinolinyl]-(4-butyl-1-piperazinyl)methanone IUPAC Name: [6-bromo-2-(4-methoxyphenyl)quinolin-4-yl]-(4-butylpiperazin-1-yl)methanone Traditional Name: [6-bromo-2-(4-methoxyphenyl)-4-quinolyl]-(4-butylpiperazino)methanone Formula: C25H28BrN3O2 MolecularWeight: 482.41272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN1CCN(CC1)C(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H28BrN3O2/c1-3-4-11-28-12-14-29(15-13-28)25(30)22-17-24(18-5-8-20(31-2)9-6-18)27-23-10-7-19(26)16-21(22)23/h5-10,16-17H,3-4,11-15H2,1-2H3