4-[4-[(4-fluorophenyl)-pyridin-3-ylcarbonyl-amino]butyl]-2-methyl-piperazine-1-carboxylic acid

Systemtic Name: 4-[4-[(4-fluorophenyl)-pyridin-3-ylcarbonyl-amino]butyl]-2-methyl-piperazine-1-carboxylic acid Openeye Name: 4-[4-[4-fluoro-N-(pyridine-3-carbonyl)anilino]butyl]-2-methyl-piperazine-1-carboxylic acid CAS Name: 4-[4-(4-fluoro-N-[oxo(3-pyridinyl)methyl]anilino)butyl]-2-methyl-1-piperazinecarboxylic acid IUPAC Name: 4-[4-[4-fluoro-N-(pyridine-3-carbonyl)anilino]butyl]-2-methylpiperazine-1-carboxylic acid Traditional Name: 4-[4-(4-fluoro-N-nicotinoyl-anilino)butyl]-2-methyl-piperazine-1-carboxylic acid Formula: C22H27FN4O3 MolecularWeight: 414.473183

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)O)CCCCN(C2=CC=C(C=C2)F)C(=O)C3=CN=CC=C3

Isomeric SMILES

CC1CN(CCN1C(=O)O)CCCCN(C2=CC=C(C=C2)F)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H27FN4O3/c1-17-16-25(13-14-26(17)22(29)30)11-2-3-12-27(20-8-6-19(23)7-9-20)21(28)18-5-4-10-24-15-18/h4-10,15,17H,2-3,11-14,16H2,1H3,(H,29,30)