tert-butyl 4-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-(3,4-dimethoxyphenyl)-4-quinolinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H31N3O5/c1-27(2,3)35-26(32)30-14-12-29(13-15-30)25(31)20-17-22(28-21-9-7-6-8-19(20)21)18-10-11-23(33-4)24(16-18)34-5/h6-11,16-17H,12-15H2,1-5H3