2-[(heptylamino)methylidene]-5-phenyl-cyclohexane-1,3-dione

Systemtic Name: 2-[(heptylamino)methylidene]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[(heptylamino)methylene]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[(heptylamino)methylidene]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[(heptylamino)methylidene]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[(heptylamino)methylene]-5-phenyl-cyclohexane-1,3-quinone Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC=C1C(=O)CC(CC1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCNC=C1C(=O)CC(CC1=O)C2=CC=CC=C2

InChI

InChI=1S/C20H27NO2/c1-2-3-4-5-9-12-21-15-18-19(22)13-17(14-20(18)23)16-10-7-6-8-11-16/h6-8,10-11,15,17,21H,2-5,9,12-14H2,1H3