tert-butyl 4-[7-chloranyl-2-(2-dimethylaminoethylamino)quinolin-4-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[7-chloranyl-2-(2-dimethylaminoethylamino)quinolin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-chloro-2-(2-dimethylaminoethylamino)-4-quinolyl]piperazine-1-carboxylate CAS Name: 4-[7-chloro-2-(2-dimethylaminoethylamino)-4-quinolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-chloro-2-(2-dimethylaminoethylamino)quinolin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[7-chloro-2-(2-dimethylaminoethylamino)-4-quinolyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H32ClN5O2 MolecularWeight: 433.97478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=NC3=C2C=CC(=C3)Cl)NCCN(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=NC3=C2C=CC(=C3)Cl)NCCN(C)C

InChI

InChI=1S/C22H32ClN5O2/c1-22(2,3)30-21(29)28-12-10-27(11-13-28)19-15-20(24-8-9-26(4)5)25-18-14-16(23)6-7-17(18)19/h6-7,14-15H,8-13H2,1-5H3,(H,24,25)