4-[[[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl]-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[[2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl]-methyl-amino]methyl]-N-methyl-benzamide Formula: C21H23FN4O2 MolecularWeight: 382.431323

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)CC(=O)N(CCC#N)C2=CC=CC=C2F

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)CC(=O)N(CCC#N)C2=CC=CC=C2F

InChI

InChI=1S/C21H23FN4O2/c1-24-21(28)17-10-8-16(9-11-17)14-25(2)15-20(27)26(13-5-12-23)19-7-4-3-6-18(19)22/h3-4,6-11H,5,13-15H2,1-2H3,(H,24,28)