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

Systemtic Name: 3-[[4-(2-azanyl-7-chloranyl-quinolin-4-yl)piperazin-1-yl]carbonylamino]-2-oxidanylidene-azepane-1-carboxylic acid Openeye Name: 3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-2-oxo-azepane-1-carboxylic acid CAS Name: 3-[[[4-(2-amino-7-chloro-4-quinolinyl)-1-piperazinyl]-oxomethyl]amino]-2-oxo-1-azepanecarboxylic acid IUPAC Name: 3-[[4-(2-amino-7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]-2-oxoazepane-1-carboxylic acid Traditional Name: 3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-2-keto-azepane-1-carboxylic acid Formula: C21H25ClN6O4 MolecularWeight: 460.914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)C(=O)O

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)C(=O)O

InChI

InChI=1S/C21H25ClN6O4/c22-13-4-5-14-16(11-13)24-18(23)12-17(14)26-7-9-27(10-8-26)20(30)25-15-3-1-2-6-28(19(15)29)21(31)32/h4-5,11-12,15H,1-3,6-10H2,(H2,23,24)(H,25,30)(H,31,32)