2-(3-bromanyl-4-methoxy-phenyl)-3-ethyl-1-(4-methylpiperazin-1-yl)pentan-3-ol

Systemtic Name: 2-(3-bromanyl-4-methoxy-phenyl)-3-ethyl-1-(4-methylpiperazin-1-yl)pentan-3-ol Openeye Name: 2-(3-bromo-4-methoxy-phenyl)-3-ethyl-1-(4-methylpiperazin-1-yl)pentan-3-ol CAS Name: 2-(3-bromo-4-methoxyphenyl)-3-ethyl-1-(4-methyl-1-piperazinyl)-3-pentanol IUPAC Name: 2-(3-bromo-4-methoxyphenyl)-3-ethyl-1-(4-methylpiperazin-1-yl)pentan-3-ol Traditional Name: 2-(3-bromo-4-methoxy-phenyl)-3-ethyl-1-(4-methylpiperazino)pentan-3-ol Formula: C19H31BrN2O2 MolecularWeight: 399.36564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(CN1CCN(CC1)C)C2=CC(=C(C=C2)OC)Br)O

Isomeric SMILES

CCC(CC)(C(CN1CCN(CC1)C)C2=CC(=C(C=C2)OC)Br)O

InChI

InChI=1S/C19H31BrN2O2/c1-5-19(23,6-2)16(14-22-11-9-21(3)10-12-22)15-7-8-18(24-4)17(20)13-15/h7-8,13,16,23H,5-6,9-12,14H2,1-4H3