3-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-N-(4-fluoranyl-2-methyl-phenyl)propanamide

Systemtic Name: 3-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-N-(4-fluoranyl-2-methyl-phenyl)propanamide Openeye Name: 3-[1-(2,1,3-benzoxadiazol-4-ylmethyl)-3-piperidyl]-N-(4-fluoro-2-methyl-phenyl)propanamide CAS Name: 3-[1-(2,1,3-benzoxadiazol-4-ylmethyl)-3-piperidinyl]-N-(4-fluoro-2-methylphenyl)propanamide IUPAC Name: 3-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide Traditional Name: 3-[1-(benzofurazan-4-ylmethyl)-3-piperidyl]-N-(4-fluoro-2-methyl-phenyl)propionamide Formula: C22H25FN4O2 MolecularWeight: 396.457903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)NC(=O)CCC2CCCN(C2)CC3=CC=CC4=NON=C43

Isomeric SMILES

CC1=C(C=CC(=C1)F)NC(=O)CCC2CCCN(C2)CC3=CC=CC4=NON=C43

InChI

InChI=1S/C22H25FN4O2/c1-15-12-18(23)8-9-19(15)24-21(28)10-7-16-4-3-11-27(13-16)14-17-5-2-6-20-22(17)26-29-25-20/h2,5-6,8-9,12,16H,3-4,7,10-11,13-14H2,1H3,(H,24,28)