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

Systemtic Name: tert-butyl 4-[7-chloranyl-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]quinolin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[tert-butoxycarbonyl(ethyl)amino]-7-chloro-4-quinolyl]piperazine-1-carboxylate CAS Name: 4-[7-chloro-2-[ethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-quinolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-chloro-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]quinolin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2-[tert-butoxycarbonyl(ethyl)amino]-7-chloro-4-quinolyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H35ClN4O4 MolecularWeight: 491.0228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35ClN4O4/c1-8-30(23(32)34-25(5,6)7)21-16-20(18-10-9-17(26)15-19(18)27-21)28-11-13-29(14-12-28)22(31)33-24(2,3)4/h9-10,15-16H,8,11-14H2,1-7H3