4-[2-(butylamino)-7-chloranyl-quinolin-4-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide

Systemtic Name: 4-[2-(butylamino)-7-chloranyl-quinolin-4-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide Openeye Name: 4-[2-(butylamino)-7-chloro-4-quinolyl]-N-(4-fluorophenyl)piperazine-1-carboxamide CAS Name: 4-[2-(butylamino)-7-chloro-4-quinolinyl]-N-(4-fluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[2-(butylamino)-7-chloroquinolin-4-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide Traditional Name: 4-[2-(butylamino)-7-chloro-4-quinolyl]-N-(4-fluorophenyl)piperazine-1-carboxamide Formula: C24H27ClFN5O MolecularWeight: 455.955483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C=CC(=C2)Cl)C(=C1)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CCCCNC1=NC2=C(C=CC(=C2)Cl)C(=C1)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C24H27ClFN5O/c1-2-3-10-27-23-16-22(20-9-4-17(25)15-21(20)29-23)30-11-13-31(14-12-30)24(32)28-19-7-5-18(26)6-8-19/h4-9,15-16H,2-3,10-14H2,1H3,(H,27,29)(H,28,32)