N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide Openeye Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide CAS Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(1,3-benzoxazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide Traditional Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(1,3-benzoxazol-2-yl)isonipecotamide Formula: C22H21F3N4O3 MolecularWeight: 446.42235

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3)C(F)(F)F

InChI

InChI=1S/C22H21F3N4O3/c1-13(30)26-15-6-7-17(16(12-15)22(23,24)25)27-20(31)14-8-10-29(11-9-14)21-28-18-4-2-3-5-19(18)32-21/h2-7,12,14H,8-11H2,1H3,(H,26,30)(H,27,31)