N-[1-[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl]piperidin-4-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[1-[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl]piperidin-4-yl]-4-fluoranyl-benzamide Openeye Name: N-[1-[2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl]-4-piperidyl]-4-fluoro-benzamide CAS Name: N-[1-[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl]-4-piperidinyl]-4-fluorobenzamide IUPAC Name: N-[1-[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide Traditional Name: N-[1-[2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl]-4-piperidyl]-4-fluoro-benzamide Formula: C23H25FN4O2 MolecularWeight: 408.468603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC=C(C=C2)F)CC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC=C(C=C2)F)CC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C23H25FN4O2/c24-19-9-7-18(8-10-19)23(30)26-20-11-15-27(16-12-20)17-22(29)28(14-4-13-25)21-5-2-1-3-6-21/h1-3,5-10,20H,4,11-12,14-17H2,(H,26,30)