4-(2-acetamido-7-chloranyl-quinolin-4-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide

Systemtic Name: 4-(2-acetamido-7-chloranyl-quinolin-4-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide Openeye Name: 4-(2-acetamido-7-chloro-4-quinolyl)-N-(4-fluorophenyl)piperazine-1-carboxamide CAS Name: 4-(2-acetamido-7-chloro-4-quinolinyl)-N-(4-fluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(2-acetamido-7-chloroquinolin-4-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide Traditional Name: 4-(2-acetamido-7-chloro-4-quinolyl)-N-(4-fluorophenyl)piperazine-1-carboxamide Formula: C22H21ClFN5O2 MolecularWeight: 441.885843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C=CC(=C2)Cl)C(=C1)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)NC1=NC2=C(C=CC(=C2)Cl)C(=C1)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H21ClFN5O2/c1-14(30)25-21-13-20(18-7-2-15(23)12-19(18)27-21)28-8-10-29(11-9-28)22(31)26-17-5-3-16(24)4-6-17/h2-7,12-13H,8-11H2,1H3,(H,26,31)(H,25,27,30)