tert-butyl 6-chloranyl-5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]carbonyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate

Systemtic Name: tert-butyl 6-chloranyl-5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]carbonyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate Openeye Name: tert-butyl 6-chloro-5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylate CAS Name: 6-chloro-5-[[(3R,5S)-3,5-dimethyl-1-piperazinyl]-oxomethyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-chloro-5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylate Traditional Name: 6-chloro-5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylic acid tert-butyl ester Formula: C22H28ClN5O3 MolecularWeight: 445.94242

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C(=O)N2CC3=C(N=CN3C4=C2C(=CC=C4)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)C(=O)N2CC3=C(N=CN3C4=C2C(=CC=C4)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H28ClN5O3/c1-13-9-26(10-14(2)25-13)21(30)27-11-17-18(20(29)31-22(3,4)5)24-12-28(17)16-8-6-7-15(23)19(16)27/h6-8,12-14,25H,9-11H2,1-5H3/t13-,14+