methyl (3S)-3-[[4-(2-azanyl-7-chloranyl-quinolin-4-yl)piperazin-1-yl]carbonylamino]-2-oxidanylidene-azepane-1-carboxylate

Systemtic Name: methyl (3S)-3-[[4-(2-azanyl-7-chloranyl-quinolin-4-yl)piperazin-1-yl]carbonylamino]-2-oxidanylidene-azepane-1-carboxylate Openeye Name: methyl (3S)-3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-2-oxo-azepane-1-carboxylate CAS Name: (3S)-3-[[[4-(2-amino-7-chloro-4-quinolinyl)-1-piperazinyl]-oxomethyl]amino]-2-oxo-1-azepanecarboxylic acid methyl ester IUPAC Name: methyl (3S)-3-[[4-(2-amino-7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]-2-oxoazepane-1-carboxylate Traditional Name: (3S)-3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-2-keto-azepane-1-carboxylic acid methyl ester Formula: C22H27ClN6O4 MolecularWeight: 474.94058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCCCC(C1=O)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N

Isomeric SMILES

COC(=O)N1CCCC[C@@H](C1=O)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N

InChI

InChI=1S/C22H27ClN6O4/c1-33-22(32)29-7-3-2-4-16(20(29)30)26-21(31)28-10-8-27(9-11-28)18-13-19(24)25-17-12-14(23)5-6-15(17)18/h5-6,12-13,16H,2-4,7-11H2,1H3,(H2,24,25)(H,26,31)/t16-/m0/s1