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

Systemtic Name: tert-butyl 4-[7-chloranyl-2-(propan-2-ylamino)quinolin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-chloro-2-(isopropylamino)-4-quinolyl]piperazine-1-carboxylate CAS Name: 4-[7-chloro-2-(propan-2-ylamino)-4-quinolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-chloro-2-(propan-2-ylamino)quinolin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[7-chloro-2-(isopropylamino)-4-quinolyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H29ClN4O2 MolecularWeight: 404.93356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC2=C(C=CC(=C2)Cl)C(=C1)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)NC1=NC2=C(C=CC(=C2)Cl)C(=C1)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

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