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

Systemtic Name: tert-butyl 4-[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-(3,4-dimethylphenyl)-4-quinolinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H31N3O3 MolecularWeight: 445.55334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C27H31N3O3/c1-18-10-11-20(16-19(18)2)24-17-22(21-8-6-7-9-23(21)28-24)25(31)29-12-14-30(15-13-29)26(32)33-27(3,4)5/h6-11,16-17H,12-15H2,1-5H3