7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]azepan-2-one

Systemtic Name: 7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]azepan-2-one Openeye Name: 7-[(3-phenyl-4,5-dihydroisoxazol-5-yl)methyl]azepan-2-one CAS Name: 7-[(3-phenyl-4,5-dihydroisoxazol-5-yl)methyl]-2-azepanone IUPAC Name: 7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]azepan-2-one Traditional Name: 7-[(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)NC(C1)CC2CC(=NO2)C3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)NC(C1)CC2CC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C16H20N2O2/c19-16-9-5-4-8-13(17-16)10-14-11-15(18-20-14)12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,17,19)