1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]azepan-2-one

Systemtic Name: 1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]azepan-2-one Openeye Name: 1-[(3-phenyl-4,5-dihydroisoxazol-5-yl)methyl]azepan-2-one CAS Name: 1-[(3-phenyl-4,5-dihydroisoxazol-5-yl)methyl]-2-azepanone IUPAC Name: 1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]azepan-2-one Traditional Name: 1-[(3-phenyl-2-isoxazolin-5-yl)methyl]azepan-2-one Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2CC(=NO2)C3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)N(CC1)CC2CC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C16H20N2O2/c19-16-9-5-2-6-10-18(16)12-14-11-15(17-20-14)13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2