N-(2-cyano-3-methyl-butan-2-yl)-2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]propanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]propanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propanamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[4-(3-fluoro-4-methoxy-benzyl)piperazino]propionamide Formula: C21H31FN4O2 MolecularWeight: 390.494843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)N1CCN(CC1)CC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)N1CCN(CC1)CC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C21H31FN4O2/c1-15(2)21(4,14-23)24-20(27)16(3)26-10-8-25(9-11-26)13-17-6-7-19(28-5)18(22)12-17/h6-7,12,15-16H,8-11,13H2,1-5H3,(H,24,27)