tert-butyl 4-[(3-azanyl-2-chloranyl-quinolin-4-yl)amino]-2-ethyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3-azanyl-2-chloranyl-quinolin-4-yl)amino]-2-ethyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(3-amino-2-chloro-4-quinolyl)amino]-2-ethyl-piperidine-1-carboxylate CAS Name: 4-[(3-amino-2-chloro-4-quinolinyl)amino]-2-ethyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3-amino-2-chloroquinolin-4-yl)amino]-2-ethylpiperidine-1-carboxylate Traditional Name: 4-[(3-amino-2-chloro-4-quinolyl)amino]-2-ethyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C21H29ClN4O2 MolecularWeight: 404.93356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(CCN1C(=O)OC(C)(C)C)NC2=C(C(=NC3=CC=CC=C32)Cl)N

Isomeric SMILES

CCC1CC(CCN1C(=O)OC(C)(C)C)NC2=C(C(=NC3=CC=CC=C32)Cl)N

InChI

InChI=1S/C21H29ClN4O2/c1-5-14-12-13(10-11-26(14)20(27)28-21(2,3)4)24-18-15-8-6-7-9-16(15)25-19(22)17(18)23/h6-9,13-14H,5,10-12,23H2,1-4H3,(H,24,25)