2-(4-phenylpiperazin-1-yl)ethyl 2-[(8-chloranylquinolin-4-yl)amino]benzoate dihydrochloride

Systemtic Name: 2-(4-phenylpiperazin-1-yl)ethyl 2-[(8-chloranylquinolin-4-yl)amino]benzoate dihydrochloride Openeye Name: 2-(4-phenylpiperazin-1-yl)ethyl 2-[(8-chloro-4-quinolyl)amino]benzoate dihydrochloride CAS Name: 2-[(8-chloro-4-quinolinyl)amino]benzoic acid 2-(4-phenyl-1-piperazinyl)ethyl ester dihydrochloride IUPAC Name: 2-(4-phenylpiperazin-1-yl)ethyl 2-[(8-chloroquinolin-4-yl)amino]benzoate dihydrochloride Traditional Name: 2-[(8-chloro-4-quinolyl)amino]benzoic acid 2-(4-phenylpiperazino)ethyl ester dihydrochloride Formula: C28H29Cl3N4O2 MolecularWeight: 559.91446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=C4C=CC=C(C4=NC=C3)Cl)C5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=C4C=CC=C(C4=NC=C3)Cl)C5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C28H27ClN4O2.2ClH/c29-24-11-6-10-22-26(13-14-30-27(22)24)31-25-12-5-4-9-23(25)28(34)35-20-19-32-15-17-33(18-16-32)21-7-2-1-3-8-21;;/h1-14H,15-20H2,(H,30,31);2*1H