N-(3-acetamido-4-fluoranyl-phenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(3-acetamido-4-fluoranyl-phenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(3-acetamido-4-fluoro-phenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide CAS Name: N-(3-acetamido-4-fluorophenyl)-1-(1,3-benzoxazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-(3-acetamido-4-fluorophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(3-acetamido-4-fluoro-phenyl)-1-(1,3-benzoxazol-2-yl)isonipecotamide Formula: C21H21FN4O3 MolecularWeight: 396.414843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN4O3/c1-13(27)23-18-12-15(6-7-16(18)22)24-20(28)14-8-10-26(11-9-14)21-25-17-4-2-3-5-19(17)29-21/h2-7,12,14H,8-11H2,1H3,(H,23,27)(H,24,28)