3-[[4-(2-azanyl-7-chloranyl-quinolin-4-yl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 3-[[4-(2-azanyl-7-chloranyl-quinolin-4-yl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 3-[[[4-(2-amino-7-chloro-4-quinolinyl)-1-piperazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 3-[[4-(2-amino-7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid Formula: C21H26ClN5O3 MolecularWeight: 431.91584

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)C(=O)O

Isomeric SMILES

C1CC(CC(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)C(=O)O

InChI

InChI=1S/C21H26ClN5O3/c22-14-4-5-16-17(11-14)25-19(23)12-18(16)26-6-8-27(9-7-26)21(30)24-15-3-1-2-13(10-15)20(28)29/h4-5,11-13,15H,1-3,6-10H2,(H2,23,25)(H,24,30)(H,28,29)