1-[2,2-bis(1-pyridin-3-ylethyl)piperazin-1-yl]-1-quinolin-4-yloxy-propan-2-ol

Systemtic Name: 1-[2,2-bis(1-pyridin-3-ylethyl)piperazin-1-yl]-1-quinolin-4-yloxy-propan-2-ol Openeye Name: 1-[2,2-bis[1-(3-pyridyl)ethyl]piperazin-1-yl]-1-(4-quinolyloxy)propan-2-ol CAS Name: 1-[2,2-bis[1-(3-pyridinyl)ethyl]-1-piperazinyl]-1-(4-quinolinyloxy)-2-propanol IUPAC Name: 1-[2,2-bis(1-pyridin-3-ylethyl)piperazin-1-yl]-1-quinolin-4-yloxypropan-2-ol Traditional Name: 1-[2,2-bis[1-(3-pyridyl)ethyl]piperazino]-1-(4-quinolyloxy)propan-2-ol Formula: C30H35N5O2 MolecularWeight: 497.6312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)C2(CNCCN2C(C(C)O)OC3=CC=NC4=CC=CC=C43)C(C)C5=CN=CC=C5

Isomeric SMILES

CC(C1=CN=CC=C1)C2(CNCCN2C(C(C)O)OC3=CC=NC4=CC=CC=C43)C(C)C5=CN=CC=C5

InChI

InChI=1S/C30H35N5O2/c1-21(24-8-6-13-31-18-24)30(22(2)25-9-7-14-32-19-25)20-33-16-17-35(30)29(23(3)36)37-28-12-15-34-27-11-5-4-10-26(27)28/h4-15,18-19,21-23,29,33,36H,16-17,20H2,1-3H3