ethyl 4-[3-[[(3-fluorophenyl)methylamino]methyl]-6-methyl-quinolin-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[[(3-fluorophenyl)methylamino]methyl]-6-methyl-quinolin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[[(3-fluorophenyl)methylamino]methyl]-6-methyl-2-quinolyl]piperazine-1-carboxylate CAS Name: 4-[3-[[(3-fluorophenyl)methylamino]methyl]-6-methyl-2-quinolinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[[(3-fluorophenyl)methylamino]methyl]-6-methylquinolin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-[[(3-fluorobenzyl)amino]methyl]-6-methyl-2-quinolyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H29FN4O2 MolecularWeight: 436.521763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=N2)C)CNCC4=CC(=CC=C4)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=N2)C)CNCC4=CC(=CC=C4)F

InChI

InChI=1S/C25H29FN4O2/c1-3-32-25(31)30-11-9-29(10-12-30)24-21(15-20-13-18(2)7-8-23(20)28-24)17-27-16-19-5-4-6-22(26)14-19/h4-8,13-15,27H,3,9-12,16-17H2,1-2H3