ethyl 4-[[5-[(7-chloranylquinolin-4-yl)amino]-2-oxidanyl-phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[5-[(7-chloranylquinolin-4-yl)amino]-2-oxidanyl-phenyl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[5-[(7-chloro-4-quinolyl)amino]-2-hydroxy-phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[5-[(7-chloro-4-quinolinyl)amino]-2-hydroxyphenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(7-chloroquinolin-4-yl)amino]-2-hydroxyphenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[5-[(7-chloro-4-quinolyl)amino]-2-hydroxy-benzyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H25ClN4O3 MolecularWeight: 440.9226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)O

InChI

InChI=1S/C23H25ClN4O3/c1-2-31-23(30)28-11-9-27(10-12-28)15-16-13-18(4-6-22(16)29)26-20-7-8-25-21-14-17(24)3-5-19(20)21/h3-8,13-14,29H,2,9-12,15H2,1H3,(H,25,26)