5-(3,4-dimethoxyphenyl)-2-[[(phenylmethyl)amino]methylidene]cyclohexane-1,3-dione

Systemtic Name: 5-(3,4-dimethoxyphenyl)-2-[[(phenylmethyl)amino]methylidene]cyclohexane-1,3-dione Openeye Name: 2-[(benzylamino)methylene]-5-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione CAS Name: 5-(3,4-dimethoxyphenyl)-2-[[(phenylmethyl)amino]methylidene]cyclohexane-1,3-dione IUPAC Name: 2-[(benzylamino)methylidene]-5-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione Traditional Name: 2-[(benzylamino)methylene]-5-(3,4-dimethoxyphenyl)cyclohexane-1,3-quinone Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=O)C(=CNCC3=CC=CC=C3)C(=O)C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(=O)C(=CNCC3=CC=CC=C3)C(=O)C2)OC

InChI

InChI=1S/C22H23NO4/c1-26-21-9-8-16(12-22(21)27-2)17-10-19(24)18(20(25)11-17)14-23-13-15-6-4-3-5-7-15/h3-9,12,14,17,23H,10-11,13H2,1-2H3