3-[(3-phenyl-1,2-oxazol-4-yl)methyl]azepin-2-one

Systemtic Name: 3-[(3-phenyl-1,2-oxazol-4-yl)methyl]azepin-2-one Openeye Name: 3-[(3-phenylisoxazol-4-yl)methyl]azepin-2-one CAS Name: 3-[(3-phenyl-4-isoxazolyl)methyl]-2-azepinone IUPAC Name: 3-[(3-phenyl-1,2-oxazol-4-yl)methyl]azepin-2-one Traditional Name: 3-[(3-phenylisoxazol-4-yl)methyl]azepin-2-one Formula: C16H12N2O2 MolecularWeight: 264.27868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC=C2CC3=CC=CC=NC3=O

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC=C2CC3=CC=CC=NC3=O

InChI

InChI=1S/C16H12N2O2/c19-16-13(8-4-5-9-17-16)10-14-11-20-18-15(14)12-6-2-1-3-7-12/h1-9,11H,10H2