1-[2-(3,3,5,5-tetramethylpiperazin-1-yl)carbonylimidazol-1-yl]-4H-quinoline-3-carboxylic acid

Systemtic Name: 1-[2-(3,3,5,5-tetramethylpiperazin-1-yl)carbonylimidazol-1-yl]-4H-quinoline-3-carboxylic acid Openeye Name: 1-[2-(3,3,5,5-tetramethylpiperazine-1-carbonyl)imidazol-1-yl]-4H-quinoline-3-carboxylic acid CAS Name: 1-[2-[oxo-(3,3,5,5-tetramethyl-1-piperazinyl)methyl]-1-imidazolyl]-4H-quinoline-3-carboxylic acid IUPAC Name: 1-[2-(3,3,5,5-tetramethylpiperazine-1-carbonyl)imidazol-1-yl]-4H-quinoline-3-carboxylic acid Traditional Name: 1-[2-(3,3,5,5-tetramethylpiperazine-1-carbonyl)imidazol-1-yl]-4H-quinoline-3-carboxylic acid Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(N1)(C)C)C(=O)C2=NC=CN2N3C=C(CC4=CC=CC=C43)C(=O)O)C

Isomeric SMILES

CC1(CN(CC(N1)(C)C)C(=O)C2=NC=CN2N3C=C(CC4=CC=CC=C43)C(=O)O)C

InChI

InChI=1S/C22H27N5O3/c1-21(2)13-25(14-22(3,4)24-21)19(28)18-23-9-10-26(18)27-12-16(20(29)30)11-15-7-5-6-8-17(15)27/h5-10,12,24H,11,13-14H2,1-4H3,(H,29,30)