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

Systemtic Name: tert-butyl 4-[7-chloranyl-2-(pentylamino)quinolin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-chloro-2-(pentylamino)-4-quinolyl]piperazine-1-carboxylate CAS Name: 4-[7-chloro-2-(pentylamino)-4-quinolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-chloro-2-(pentylamino)quinolin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(amylamino)-7-chloro-4-quinolyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H33ClN4O2 MolecularWeight: 432.98672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC2=C(C=CC(=C2)Cl)C(=C1)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCNC1=NC2=C(C=CC(=C2)Cl)C(=C1)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H33ClN4O2/c1-5-6-7-10-25-21-16-20(18-9-8-17(24)15-19(18)26-21)27-11-13-28(14-12-27)22(29)30-23(2,3)4/h8-9,15-16H,5-7,10-14H2,1-4H3,(H,25,26)