3-[(2-bromanyl-4,5-dimethoxy-phenyl)-piperazin-1-yl-methyl]quinoline

Systemtic Name: 3-[(2-bromanyl-4,5-dimethoxy-phenyl)-piperazin-1-yl-methyl]quinoline Openeye Name: 3-[(2-bromo-4,5-dimethoxy-phenyl)-piperazin-1-yl-methyl]quinoline CAS Name: 3-[(2-bromo-4,5-dimethoxyphenyl)-(1-piperazinyl)methyl]quinoline IUPAC Name: 3-[(2-bromo-4,5-dimethoxyphenyl)-piperazin-1-ylmethyl]quinoline Traditional Name: 3-[(2-bromo-4,5-dimethoxy-phenyl)-piperazino-methyl]quinoline Formula: C22H24BrN3O2 MolecularWeight: 442.34886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCNCC4)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCNCC4)Br)OC

InChI

InChI=1S/C22H24BrN3O2/c1-27-20-12-17(18(23)13-21(20)28-2)22(26-9-7-24-8-10-26)16-11-15-5-3-4-6-19(15)25-14-16/h3-6,11-14,22,24H,7-10H2,1-2H3