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

Systemtic Name: tert-butyl 4-[2-(butylamino)-7-chloranyl-quinolin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(butylamino)-7-chloro-4-quinolyl]piperazine-1-carboxylate CAS Name: 4-[2-(butylamino)-7-chloro-4-quinolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(butylamino)-7-chloroquinolin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(butylamino)-7-chloro-4-quinolyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H31ClN4O2 MolecularWeight: 418.96014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C=CC(=C2)Cl)C(=C1)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCNC1=NC2=C(C=CC(=C2)Cl)C(=C1)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H31ClN4O2/c1-5-6-9-24-20-15-19(17-8-7-16(23)14-18(17)25-20)26-10-12-27(13-11-26)21(28)29-22(2,3)4/h7-8,14-15H,5-6,9-13H2,1-4H3,(H,24,25)