(2S)-N-[1,3-benzodioxol-5-yl(cyano)methyl]-1-[2-(4-fluorophenyl)ethanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[1,3-benzodioxol-5-yl(cyano)methyl]-1-[2-(4-fluorophenyl)ethanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[1,3-benzodioxol-5-yl(cyano)methyl]-1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[1,3-benzodioxol-5-yl(cyano)methyl]-1-[2-(4-fluorophenyl)-1-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[1,3-benzodioxol-5-yl(cyano)methyl]-1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[1,3-benzodioxol-5-yl(cyano)methyl]-1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxamide Formula: C22H20FN3O4 MolecularWeight: 409.410303

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC2=CC=C(C=C2)F)C(=O)NC(C#N)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CC2=CC=C(C=C2)F)C(=O)NC(C#N)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H20FN3O4/c23-16-6-3-14(4-7-16)10-21(27)26-9-1-2-18(26)22(28)25-17(12-24)15-5-8-19-20(11-15)30-13-29-19/h3-8,11,17-18H,1-2,9-10,13H2,(H,25,28)/t17?,18-/m0/s1