1-(4-phenylpiperazin-1-yl)propan-2-yl 2-[(7-chloranylquinolin-4-yl)amino]benzoate dihydrochloride

Systemtic Name: 1-(4-phenylpiperazin-1-yl)propan-2-yl 2-[(7-chloranylquinolin-4-yl)amino]benzoate dihydrochloride Openeye Name: [1-methyl-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(7-chloro-4-quinolyl)amino]benzoate dihydrochloride CAS Name: 2-[(7-chloro-4-quinolinyl)amino]benzoic acid 1-(4-phenyl-1-piperazinyl)propan-2-yl ester dihydrochloride IUPAC Name: 1-(4-phenylpiperazin-1-yl)propan-2-yl 2-[(7-chloroquinolin-4-yl)amino]benzoate dihydrochloride Traditional Name: 2-[(7-chloro-4-quinolyl)amino]benzoic acid [1-methyl-2-(4-phenylpiperazino)ethyl] ester dihydrochloride Formula: C29H31Cl3N4O2 MolecularWeight: 573.94104

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3NC4=C5C=CC(=CC5=NC=C4)Cl.Cl.Cl

Isomeric SMILES

CC(CN1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3NC4=C5C=CC(=CC5=NC=C4)Cl.Cl.Cl

InChI

InChI=1S/C29H29ClN4O2.2ClH/c1-21(20-33-15-17-34(18-16-33)23-7-3-2-4-8-23)36-29(35)25-9-5-6-10-26(25)32-27-13-14-31-28-19-22(30)11-12-24(27)28;;/h2-14,19,21H,15-18,20H2,1H3,(H,31,32);2*1H