ethyl 4-[(S)-(5-chloranyl-8-oxidanyl-quinolin-7-yl)-pyridin-2-yl-methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(S)-(5-chloranyl-8-oxidanyl-quinolin-7-yl)-pyridin-2-yl-methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(S)-(5-chloro-8-hydroxy-7-quinolyl)-(2-pyridyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(S)-(5-chloro-8-hydroxy-7-quinolinyl)-(2-pyridinyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]piperazine-1-carboxylate Traditional Name: 4-[(S)-(5-chloro-8-hydroxy-7-quinolyl)-(2-pyridyl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H23ClN4O3 MolecularWeight: 426.89602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C2=CC=CC=N2)C3=CC(=C4C=CC=NC4=C3O)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H](C2=CC=CC=N2)C3=CC(=C4C=CC=NC4=C3O)Cl

InChI

InChI=1S/C22H23ClN4O3/c1-2-30-22(29)27-12-10-26(11-13-27)20(18-7-3-4-8-24-18)16-14-17(23)15-6-5-9-25-19(15)21(16)28/h3-9,14,20,28H,2,10-13H2,1H3/t20-/m0/s1