4-[(7-chloranylquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol trihydrochloride

Systemtic Name: 4-[(7-chloranylquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol trihydrochloride Openeye Name: 4-[(7-chloro-4-quinolyl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol trihydrochloride CAS Name: 4-[(7-chloro-4-quinolinyl)amino]-2,6-bis(1-pyrrolidinylmethyl)phenol trihydrochloride IUPAC Name: 4-[(7-chloroquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol trihydrochloride Traditional Name: 4-[(7-chloro-4-quinolyl)amino]-2,6-bis(pyrrolidinomethyl)phenol trihydrochloride Formula: C25H32Cl4N4O MolecularWeight: 546.35978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)NC4=C5C=CC(=CC5=NC=C4)Cl.Cl.Cl.Cl

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)NC4=C5C=CC(=CC5=NC=C4)Cl.Cl.Cl.Cl

InChI

InChI=1S/C25H29ClN4O.3ClH/c26-20-5-6-22-23(7-8-27-24(22)15-20)28-21-13-18(16-29-9-1-2-10-29)25(31)19(14-21)17-30-11-3-4-12-30;;;/h5-8,13-15,31H,1-4,9-12,16-17H2,(H,27,28);3*1H