4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-(4-fluoranyl-3-methoxy-phenyl)piperazine-1-carboxamide

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-(4-fluoranyl-3-methoxy-phenyl)piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-(4-fluoro-3-methoxy-phenyl)piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-(4-fluoro-3-methoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-(4-fluoro-3-methoxyphenyl)piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-(4-fluoro-3-methoxy-phenyl)piperazine-1-carboxamide Formula: C21H21ClFN5O2 MolecularWeight: 429.875143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)F

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)F

InChI

InChI=1S/C21H21ClFN5O2/c1-30-19-11-14(3-5-16(19)23)25-21(29)28-8-6-27(7-9-28)18-12-20(24)26-17-10-13(22)2-4-15(17)18/h2-5,10-12H,6-9H2,1H3,(H2,24,26)(H,25,29)