tert-butyl 7-chloranyl-5-piperazin-1-ylcarbonyl-imidazo[1,5-a]quinoline-3-carboxylate

Systemtic Name: tert-butyl 7-chloranyl-5-piperazin-1-ylcarbonyl-imidazo[1,5-a]quinoline-3-carboxylate Openeye Name: tert-butyl 7-chloro-5-(piperazine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate CAS Name: 7-chloro-5-[oxo(1-piperazinyl)methyl]-3-imidazo[1,5-a]quinolinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-chloro-5-(piperazine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate Traditional Name: 7-chloro-5-(piperazine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylic acid tert-butyl ester Formula: C21H23ClN4O3 MolecularWeight: 414.88532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C2C=C(C3=C(N2C=N1)C=CC(=C3)Cl)C(=O)N4CCNCC4

Isomeric SMILES

CC(C)(C)OC(=O)C1=C2C=C(C3=C(N2C=N1)C=CC(=C3)Cl)C(=O)N4CCNCC4

InChI

InChI=1S/C21H23ClN4O3/c1-21(2,3)29-20(28)18-17-11-15(19(27)25-8-6-23-7-9-25)14-10-13(22)4-5-16(14)26(17)12-24-18/h4-5,10-12,23H,6-9H2,1-3H3