N-(4-cyanophenyl)-2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide

Systemtic Name: N-(4-cyanophenyl)-2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide Openeye Name: N-(4-cyanophenyl)-2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide CAS Name: N-(4-cyanophenyl)-2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]-1-pyrrolidinecarboxamide IUPAC Name: N-(4-cyanophenyl)-2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide Traditional Name: N-(4-cyanophenyl)-2-[5-(3-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide Formula: C25H19FN4O2 MolecularWeight: 426.442363

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)NC2=CC=C(C=C2)C#N)C3=NC4=C(O3)C=CC(=C4)C5=CC(=CC=C5)F

Isomeric SMILES

C1CC(N(C1)C(=O)NC2=CC=C(C=C2)C#N)C3=NC4=C(O3)C=CC(=C4)C5=CC(=CC=C5)F

InChI

InChI=1S/C25H19FN4O2/c26-19-4-1-3-17(13-19)18-8-11-23-21(14-18)29-24(32-23)22-5-2-12-30(22)25(31)28-20-9-6-16(15-27)7-10-20/h1,3-4,6-11,13-14,22H,2,5,12H2,(H,28,31)