4-[3-(azepan-1-ylcarbonyl)-2H-1,2-oxazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[3-(azepan-1-ylcarbonyl)-2H-1,2-oxazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[3-(azepane-1-carbonyl)-2H-isoxazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[3-[1-azepanyl(oxo)methyl]-2H-isoxazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[3-(azepane-1-carbonyl)-2H-1,2-oxazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[3-(azepane-1-carbonyl)-3-isoxazolin-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=C3C=CC(=O)C=C3)ON2

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=C3C=CC(=O)C=C3)ON2

InChI

InChI=1S/C16H18N2O3/c19-13-7-5-12(6-8-13)15-11-14(17-21-15)16(20)18-9-3-1-2-4-10-18/h5-8,11,17H,1-4,9-10H2