4-[[4-(7-chloranylquinolin-4-yl)piperazin-1-yl]carbonylamino]azepane-1-carboxylic acid

Systemtic Name: 4-[[4-(7-chloranylquinolin-4-yl)piperazin-1-yl]carbonylamino]azepane-1-carboxylic acid Openeye Name: 4-[[4-(7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]azepane-1-carboxylic acid CAS Name: 4-[[[4-(7-chloro-4-quinolinyl)-1-piperazinyl]-oxomethyl]amino]-1-azepanecarboxylic acid IUPAC Name: 4-[[4-(7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]azepane-1-carboxylic acid Traditional Name: 4-[[4-(7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]azepane-1-carboxylic acid Formula: C21H26ClN5O3 MolecularWeight: 431.91584

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C(=O)O)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

C1CC(CCN(C1)C(=O)O)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C21H26ClN5O3/c22-15-3-4-17-18(14-15)23-7-5-19(17)25-10-12-26(13-11-25)20(28)24-16-2-1-8-27(9-6-16)21(29)30/h3-5,7,14,16H,1-2,6,8-13H2,(H,24,28)(H,29,30)