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

Systemtic Name: tert-butyl 4-[7-chloranyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]quinolin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(tert-butoxycarbonylamino)-7-chloro-4-quinolyl]piperazine-1-carboxylate CAS Name: 4-[7-chloro-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-quinolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]quinolin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(tert-butoxycarbonylamino)-7-chloro-4-quinolyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H31ClN4O4 MolecularWeight: 462.96964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31ClN4O4/c1-22(2,3)31-20(29)26-19-14-18(16-8-7-15(24)13-17(16)25-19)27-9-11-28(12-10-27)21(30)32-23(4,5)6/h7-8,13-14H,9-12H2,1-6H3,(H,25,26,29)