[3-[(7-chloranylquinolin-4-yl)amino]-5-(2-piperidin-1-ylethanoylamino)phenyl]methyl 5-bromanylpentanoate

Systemtic Name: [3-[(7-chloranylquinolin-4-yl)amino]-5-(2-piperidin-1-ylethanoylamino)phenyl]methyl 5-bromanylpentanoate Openeye Name: [3-[(7-chloro-4-quinolyl)amino]-5-[[2-(1-piperidyl)acetyl]amino]phenyl]methyl 5-bromopentanoate CAS Name: 5-bromopentanoic acid [3-[(7-chloro-4-quinolinyl)amino]-5-[[1-oxo-2-(1-piperidinyl)ethyl]amino]phenyl]methyl ester IUPAC Name: [3-[(7-chloroquinolin-4-yl)amino]-5-[(2-piperidin-1-ylacetyl)amino]phenyl]methyl 5-bromopentanoate Traditional Name: 5-bromovaleric acid [3-[(7-chloro-4-quinolyl)amino]-5-[(2-piperidinoacetyl)amino]benzyl] ester Formula: C28H32BrClN4O3 MolecularWeight: 587.93568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(=O)NC2=CC(=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)COC(=O)CCCCBr

Isomeric SMILES

C1CCN(CC1)CC(=O)NC2=CC(=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)COC(=O)CCCCBr

InChI

InChI=1S/C28H32BrClN4O3/c29-10-3-2-6-28(36)37-19-20-14-22(32-25-9-11-31-26-16-21(30)7-8-24(25)26)17-23(15-20)33-27(35)18-34-12-4-1-5-13-34/h7-9,11,14-17H,1-6,10,12-13,18-19H2,(H,31,32)(H,33,35)