tert-butyl 7-chloranyl-5-(2-methylpiperazin-1-yl)carbonyl-imidazo[1,5-a]quinoline-3-carboxylate

Systemtic Name: tert-butyl 7-chloranyl-5-(2-methylpiperazin-1-yl)carbonyl-imidazo[1,5-a]quinoline-3-carboxylate Openeye Name: tert-butyl 7-chloro-5-(2-methylpiperazine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate CAS Name: 7-chloro-5-[(2-methyl-1-piperazinyl)-oxomethyl]-3-imidazo[1,5-a]quinolinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-chloro-5-(2-methylpiperazine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate Traditional Name: 7-chloro-5-(2-methylpiperazine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylic acid tert-butyl ester Formula: C22H25ClN4O3 MolecularWeight: 428.9119

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCN1C(=O)C2=CC3=C(N=CN3C4=C2C=C(C=C4)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC1CNCCN1C(=O)C2=CC3=C(N=CN3C4=C2C=C(C=C4)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H25ClN4O3/c1-13-11-24-7-8-26(13)20(28)16-10-18-19(21(29)30-22(2,3)4)25-12-27(18)17-6-5-14(23)9-15(16)17/h5-6,9-10,12-13,24H,7-8,11H2,1-4H3