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

Systemtic Name: 3-[[4-(2-azanyl-7-chloranyl-quinolin-4-yl)piperazin-1-yl]carbonylamino]-N-(4-fluorophenyl)-2-oxidanylidene-azepane-1-carboxamide Openeye Name: 3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-N-(4-fluorophenyl)-2-oxo-azepane-1-carboxamide CAS Name: 3-[[[4-(2-amino-7-chloro-4-quinolinyl)-1-piperazinyl]-oxomethyl]amino]-N-(4-fluorophenyl)-2-oxo-1-azepanecarboxamide IUPAC Name: 3-[[4-(2-amino-7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]-N-(4-fluorophenyl)-2-oxoazepane-1-carboxamide Traditional Name: 3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-N-(4-fluorophenyl)-2-keto-azepane-1-carboxamide Formula: C27H29ClFN7O3 MolecularWeight: 554.015663

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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)NC5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)C(=O)NC5=CC=C(C=C5)F

InChI

InChI=1S/C27H29ClFN7O3/c28-17-4-9-20-22(15-17)32-24(30)16-23(20)34-11-13-35(14-12-34)26(38)33-21-3-1-2-10-36(25(21)37)27(39)31-19-7-5-18(29)6-8-19/h4-9,15-16,21H,1-3,10-14H2,(H2,30,32)(H,31,39)(H,33,38)