N-[4-[(7-chloranylquinolin-4-yl)amino]cyclohexyl]-3-(3-ethanoylphenyl)-5-fluoranyl-benzamide

Systemtic Name: N-[4-[(7-chloranylquinolin-4-yl)amino]cyclohexyl]-3-(3-ethanoylphenyl)-5-fluoranyl-benzamide Openeye Name: 3-(3-acetylphenyl)-N-[4-[(7-chloro-4-quinolyl)amino]cyclohexyl]-5-fluoro-benzamide CAS Name: 3-(3-acetylphenyl)-N-[4-[(7-chloro-4-quinolinyl)amino]cyclohexyl]-5-fluorobenzamide IUPAC Name: 3-(3-acetylphenyl)-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-fluorobenzamide Traditional Name: 3-(3-acetylphenyl)-N-[4-[(7-chloro-4-quinolyl)amino]cyclohexyl]-5-fluoro-benzamide Formula: C30H27ClFN3O2 MolecularWeight: 516.005683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC(=C1)C2=CC(=CC(=C2)F)C(=O)NC3CCC(CC3)NC4=C5C=CC(=CC5=NC=C4)Cl

Isomeric SMILES

CC(=O)C1=CC=CC(=C1)C2=CC(=CC(=C2)F)C(=O)NC3CCC(CC3)NC4=C5C=CC(=CC5=NC=C4)Cl

InChI

InChI=1S/C30H27ClFN3O2/c1-18(36)19-3-2-4-20(13-19)21-14-22(16-24(32)15-21)30(37)35-26-8-6-25(7-9-26)34-28-11-12-33-29-17-23(31)5-10-27(28)29/h2-5,10-17,25-26H,6-9H2,1H3,(H,33,34)(H,35,37)