3-(3-oxidanylidenecyclohexen-1-yl)-1-(phenylmethyl)azepan-2-one

Systemtic Name: 3-(3-oxidanylidenecyclohexen-1-yl)-1-(phenylmethyl)azepan-2-one Openeye Name: 1-benzyl-3-(3-oxocyclohexen-1-yl)azepan-2-one CAS Name: 3-(3-oxo-1-cyclohexenyl)-1-(phenylmethyl)-2-azepanone IUPAC Name: 1-benzyl-3-(3-oxocyclohexen-1-yl)azepan-2-one Traditional Name: 1-benzyl-3-(3-ketocyclohexen-1-yl)azepan-2-one Formula: C19H23NO2 MolecularWeight: 297.39142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)C2=CC(=O)CCC2)CC3=CC=CC=C3

Isomeric SMILES

C1CCN(C(=O)C(C1)C2=CC(=O)CCC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H23NO2/c21-17-10-6-9-16(13-17)18-11-4-5-12-20(19(18)22)14-15-7-2-1-3-8-15/h1-3,7-8,13,18H,4-6,9-12,14H2