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

Systemtic Name: 3-[[4-(2-azanyl-7-chloranyl-quinolin-4-yl)piperazin-1-yl]carbonylamino]-N-(2-fluorophenyl)-2-oxidanylidene-azepane-1-carboxamide Openeye Name: 3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-N-(2-fluorophenyl)-2-oxo-azepane-1-carboxamide CAS Name: 3-[[[4-(2-amino-7-chloro-4-quinolinyl)-1-piperazinyl]-oxomethyl]amino]-N-(2-fluorophenyl)-2-oxo-1-azepanecarboxamide IUPAC Name: 3-[[4-(2-amino-7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]-N-(2-fluorophenyl)-2-oxoazepane-1-carboxamide Traditional Name: 3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-N-(2-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=CC=C5F

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)C(=O)NC5=CC=CC=C5F

InChI

InChI=1S/C27H29ClFN7O3/c28-17-8-9-18-22(15-17)31-24(30)16-23(18)34-11-13-35(14-12-34)26(38)33-21-7-3-4-10-36(25(21)37)27(39)32-20-6-2-1-5-19(20)29/h1-2,5-6,8-9,15-16,21H,3-4,7,10-14H2,(H2,30,31)(H,32,39)(H,33,38)