methyl 3-[[4-(7-chloranylquinolin-4-yl)piperazin-1-yl]carbonylamino]azepane-1-carboxylate

Systemtic Name: methyl 3-[[4-(7-chloranylquinolin-4-yl)piperazin-1-yl]carbonylamino]azepane-1-carboxylate Openeye Name: methyl 3-[[4-(7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]azepane-1-carboxylate CAS Name: 3-[[[4-(7-chloro-4-quinolinyl)-1-piperazinyl]-oxomethyl]amino]-1-azepanecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]azepane-1-carboxylate Traditional Name: 3-[[4-(7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]azepane-1-carboxylic acid methyl ester Formula: C22H28ClN5O3 MolecularWeight: 445.94242

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCCCC(C1)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

COC(=O)N1CCCCC(C1)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C22H28ClN5O3/c1-31-22(30)28-9-3-2-4-17(15-28)25-21(29)27-12-10-26(11-13-27)20-7-8-24-19-14-16(23)5-6-18(19)20/h5-8,14,17H,2-4,9-13,15H2,1H3,(H,25,29)