2-[5-(4-fluoranyl-3-methyl-phenyl)-1,3-benzoxazol-2-yl]-N-(4-nitrophenyl)pyrrolidine-1-carboxamide

Systemtic Name: 2-[5-(4-fluoranyl-3-methyl-phenyl)-1,3-benzoxazol-2-yl]-N-(4-nitrophenyl)pyrrolidine-1-carboxamide Openeye Name: 2-[5-(4-fluoro-3-methyl-phenyl)-1,3-benzoxazol-2-yl]-N-(4-nitrophenyl)pyrrolidine-1-carboxamide CAS Name: 2-[5-(4-fluoro-3-methylphenyl)-1,3-benzoxazol-2-yl]-N-(4-nitrophenyl)-1-pyrrolidinecarboxamide IUPAC Name: 2-[5-(4-fluoro-3-methylphenyl)-1,3-benzoxazol-2-yl]-N-(4-nitrophenyl)pyrrolidine-1-carboxamide Traditional Name: 2-[5-(4-fluoro-3-methyl-phenyl)-1,3-benzoxazol-2-yl]-N-(4-nitrophenyl)pyrrolidine-1-carboxamide Formula: C25H21FN4O4 MolecularWeight: 460.457043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC3=C(C=C2)OC(=N3)C4CCCN4C(=O)NC5=CC=C(C=C5)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC3=C(C=C2)OC(=N3)C4CCCN4C(=O)NC5=CC=C(C=C5)[N+](=O)[O-])F

InChI

InChI=1S/C25H21FN4O4/c1-15-13-16(4-10-20(15)26)17-5-11-23-21(14-17)28-24(34-23)22-3-2-12-29(22)25(31)27-18-6-8-19(9-7-18)30(32)33/h4-11,13-14,22H,2-3,12H2,1H3,(H,27,31)