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

Systemtic Name: 3-(oxidanylideneboranylmethylideneamino)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]azepan-2-one Openeye Name: 3-(oxoboranylmethyleneamino)-1-[(3-phenylisoxazol-5-yl)methyl]azepan-2-one CAS Name: 3-(oxoboranylmethylideneamino)-1-[(3-phenyl-5-isoxazolyl)methyl]-2-azepanone IUPAC Name: 3-(oxoboranylmethylideneamino)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]azepan-2-one Traditional Name: 3-(ketoboranylmethyleneamino)-1-[(3-phenylisoxazol-5-yl)methyl]azepan-2-one Formula: C17H18BN3O3 MolecularWeight: 323.15412

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Descriptors Computed from Structure

Canonical SMILES:

B(=O)C=NC1CCCCN(C1=O)CC2=CC(=NO2)C3=CC=CC=C3

Isomeric SMILES

B(=O)C=NC1CCCCN(C1=O)CC2=CC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C17H18BN3O3/c22-17-15(19-12-18-23)8-4-5-9-21(17)11-14-10-16(20-24-14)13-6-2-1-3-7-13/h1-3,6-7,10,12,15H,4-5,8-9,11H2