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

Systemtic Name: 2-[[4-(2-azanyl-7-chloranyl-quinolin-4-yl)piperazin-1-yl]carbonylamino]cycloheptane-1-carboxylic acid Openeye Name: 2-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]cycloheptanecarboxylic acid CAS Name: 2-[[[4-(2-amino-7-chloro-4-quinolinyl)-1-piperazinyl]-oxomethyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 2-[[4-(2-amino-7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]cycloheptane-1-carboxylic acid Traditional Name: 2-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]cycloheptanecarboxylic acid Formula: C22H28ClN5O3 MolecularWeight: 445.94242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(CC1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)C(=O)O

Isomeric SMILES

C1CCC(C(CC1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)C(=O)O

InChI

InChI=1S/C22H28ClN5O3/c23-14-6-7-15-18(12-14)25-20(24)13-19(15)27-8-10-28(11-9-27)22(31)26-17-5-3-1-2-4-16(17)21(29)30/h6-7,12-13,16-17H,1-5,8-11H2,(H2,24,25)(H,26,31)(H,29,30)