butyl 4-[7-chloranyl-2-[2-(4-fluorophenyl)ethylamino]quinolin-4-yl]piperazine-1-carboxylate

Systemtic Name: butyl 4-[7-chloranyl-2-[2-(4-fluorophenyl)ethylamino]quinolin-4-yl]piperazine-1-carboxylate Openeye Name: butyl 4-[7-chloro-2-[2-(4-fluorophenyl)ethylamino]-4-quinolyl]piperazine-1-carboxylate CAS Name: 4-[7-chloro-2-[2-(4-fluorophenyl)ethylamino]-4-quinolinyl]-1-piperazinecarboxylic acid butyl ester IUPAC Name: butyl 4-[7-chloro-2-[2-(4-fluorophenyl)ethylamino]quinolin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[7-chloro-2-[2-(4-fluorophenyl)ethylamino]-4-quinolyl]piperazine-1-carboxylic acid butyl ester Formula: C26H30ClFN4O2 MolecularWeight: 484.993403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CCN(CC1)C2=CC(=NC3=C2C=CC(=C3)Cl)NCCC4=CC=C(C=C4)F

Isomeric SMILES

CCCCOC(=O)N1CCN(CC1)C2=CC(=NC3=C2C=CC(=C3)Cl)NCCC4=CC=C(C=C4)F

InChI

InChI=1S/C26H30ClFN4O2/c1-2-3-16-34-26(33)32-14-12-31(13-15-32)24-18-25(30-23-17-20(27)6-9-22(23)24)29-11-10-19-4-7-21(28)8-5-19/h4-9,17-18H,2-3,10-16H2,1H3,(H,29,30)