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

Systemtic Name: tert-butyl 4-[7-chloranyl-2-(cyclopropylamino)quinolin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-chloro-2-(cyclopropylamino)-4-quinolyl]piperazine-1-carboxylate CAS Name: 4-[7-chloro-2-(cyclopropylamino)-4-quinolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-chloro-2-(cyclopropylamino)quinolin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[7-chloro-2-(cyclopropylamino)-4-quinolyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H27ClN4O2 MolecularWeight: 402.91768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=NC3=C2C=CC(=C3)Cl)NC4CC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=NC3=C2C=CC(=C3)Cl)NC4CC4

InChI

InChI=1S/C21H27ClN4O2/c1-21(2,3)28-20(27)26-10-8-25(9-11-26)18-13-19(23-15-5-6-15)24-17-12-14(22)4-7-16(17)18/h4,7,12-13,15H,5-6,8-11H2,1-3H3,(H,23,24)