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

Systemtic Name: tert-butyl 4-[7-chloranyl-2-(2-hydroxyethylamino)quinolin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-chloro-2-(2-hydroxyethylamino)-4-quinolyl]piperazine-1-carboxylate CAS Name: 4-[7-chloro-2-(2-hydroxyethylamino)-4-quinolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-chloro-2-(2-hydroxyethylamino)quinolin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[7-chloro-2-(2-hydroxyethylamino)-4-quinolyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H27ClN4O3 MolecularWeight: 406.90638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN4O3/c1-20(2,3)28-19(27)25-9-7-24(8-10-25)17-13-18(22-6-11-26)23-16-12-14(21)4-5-15(16)17/h4-5,12-13,26H,6-11H2,1-3H3,(H,22,23)