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

Systemtic Name: ethyl (3S)-3-[[4-(2-azanyl-7-chloranyl-quinolin-4-yl)piperazin-1-yl]carbonylamino]-2-oxidanylidene-azepane-1-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C23H29ClN6O4 MolecularWeight: 488.96716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClN6O4/c1-2-34-23(33)30-8-4-3-5-17(21(30)31)27-22(32)29-11-9-28(10-12-29)19-14-20(25)26-18-13-15(24)6-7-16(18)19/h6-7,13-14,17H,2-5,8-12H2,1H3,(H2,25,26)(H,27,32)/t17-/m0/s1