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

Systemtic Name: 4-[7-chloranyl-2-(hydroxymethyl)quinolin-4-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide Openeye Name: 4-[7-chloro-2-(hydroxymethyl)-4-quinolyl]-N-(4-fluorophenyl)piperazine-1-carboxamide CAS Name: 4-[7-chloro-2-(hydroxymethyl)-4-quinolinyl]-N-(4-fluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[7-chloro-2-(hydroxymethyl)quinolin-4-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide Traditional Name: 4-(7-chloro-2-methylol-4-quinolyl)-N-(4-fluorophenyl)piperazine-1-carboxamide Formula: C21H20ClFN4O2 MolecularWeight: 414.860503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=NC3=C2C=CC(=C3)Cl)CO)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=CC(=NC3=C2C=CC(=C3)Cl)CO)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C21H20ClFN4O2/c22-14-1-6-18-19(11-14)24-17(13-28)12-20(18)26-7-9-27(10-8-26)21(29)25-16-4-2-15(23)3-5-16/h1-6,11-12,28H,7-10,13H2,(H,25,29)