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

Systemtic Name: 3-[[4-(2-azanyl-7-chloranyl-quinolin-4-yl)piperazin-1-yl]carbonylamino]-N-ethyl-2-oxidanylidene-azepane-1-carboxamide Openeye Name: 3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-N-ethyl-2-oxo-azepane-1-carboxamide CAS Name: 3-[[[4-(2-amino-7-chloro-4-quinolinyl)-1-piperazinyl]-oxomethyl]amino]-N-ethyl-2-oxo-1-azepanecarboxamide IUPAC Name: 3-[[4-(2-amino-7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]-N-ethyl-2-oxoazepane-1-carboxamide Traditional Name: 3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-N-ethyl-2-keto-azepane-1-carboxamide Formula: C23H30ClN7O3 MolecularWeight: 487.9824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN7O3/c1-2-26-22(33)31-8-4-3-5-17(21(31)32)28-23(34)30-11-9-29(10-12-30)19-14-20(25)27-18-13-15(24)6-7-16(18)19/h6-7,13-14,17H,2-5,8-12H2,1H3,(H2,25,27)(H,26,33)(H,28,34)