4-[(7-chloranylquinolin-4-yl)amino]-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol trihydrochloride

Systemtic Name: 4-[(7-chloranylquinolin-4-yl)amino]-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol trihydrochloride Openeye Name: 4-[(7-chloro-4-quinolyl)amino]-2-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenol trihydrochloride CAS Name: 4-[(7-chloro-4-quinolinyl)amino]-2-[[4-(2-pyridinyl)-1-piperazinyl]methyl]phenol trihydrochloride IUPAC Name: 4-[(7-chloroquinolin-4-yl)amino]-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol trihydrochloride Traditional Name: 4-[(7-chloro-4-quinolyl)amino]-2-[[4-(2-pyridyl)piperazino]methyl]phenol trihydrochloride Formula: C25H27Cl4N5O MolecularWeight: 555.32678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)O)C5=CC=CC=N5.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)O)C5=CC=CC=N5.Cl.Cl.Cl

InChI

InChI=1S/C25H24ClN5O.3ClH/c26-19-4-6-21-22(8-10-27-23(21)16-19)29-20-5-7-24(32)18(15-20)17-30-11-13-31(14-12-30)25-3-1-2-9-28-25;;;/h1-10,15-16,32H,11-14,17H2,(H,27,29);3*1H