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

Systemtic Name: 1-[2-(2,2-dimethylpiperazin-1-yl)carbonylimidazol-1-yl]-4H-quinoline-3-carboxylic acid Openeye Name: 1-[2-(2,2-dimethylpiperazine-1-carbonyl)imidazol-1-yl]-4H-quinoline-3-carboxylic acid CAS Name: 1-[2-[(2,2-dimethyl-1-piperazinyl)-oxomethyl]-1-imidazolyl]-4H-quinoline-3-carboxylic acid IUPAC Name: 1-[2-(2,2-dimethylpiperazine-1-carbonyl)imidazol-1-yl]-4H-quinoline-3-carboxylic acid Traditional Name: 1-[2-(2,2-dimethylpiperazine-1-carbonyl)imidazol-1-yl]-4H-quinoline-3-carboxylic acid Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNCCN1C(=O)C2=NC=CN2N3C=C(CC4=CC=CC=C43)C(=O)O)C

Isomeric SMILES

CC1(CNCCN1C(=O)C2=NC=CN2N3C=C(CC4=CC=CC=C43)C(=O)O)C

InChI

InChI=1S/C20H23N5O3/c1-20(2)13-21-7-9-23(20)18(26)17-22-8-10-24(17)25-12-15(19(27)28)11-14-5-3-4-6-16(14)25/h3-6,8,10,12,21H,7,9,11,13H2,1-2H3,(H,27,28)