3-(4-phenylpiperazin-1-yl)propyl 2-[(7-chloranylquinolin-4-yl)amino]benzoate dihydrochloride

Systemtic Name: 3-(4-phenylpiperazin-1-yl)propyl 2-[(7-chloranylquinolin-4-yl)amino]benzoate dihydrochloride Openeye Name: 3-(4-phenylpiperazin-1-yl)propyl 2-[(7-chloro-4-quinolyl)amino]benzoate dihydrochloride CAS Name: 2-[(7-chloro-4-quinolinyl)amino]benzoic acid 3-(4-phenyl-1-piperazinyl)propyl ester dihydrochloride IUPAC Name: 3-(4-phenylpiperazin-1-yl)propyl 2-[(7-chloroquinolin-4-yl)amino]benzoate dihydrochloride Traditional Name: 2-[(7-chloro-4-quinolyl)amino]benzoic acid 3-(4-phenylpiperazino)propyl ester dihydrochloride Formula: C29H31Cl3N4O2 MolecularWeight: 573.94104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)Cl)C5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCOC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)Cl)C5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C29H29ClN4O2.2ClH/c30-22-11-12-24-27(13-14-31-28(24)21-22)32-26-10-5-4-9-25(26)29(35)36-20-6-15-33-16-18-34(19-17-33)23-7-2-1-3-8-23;;/h1-5,7-14,21H,6,15-20H2,(H,31,32);2*1H