5-(4-chlorophenyl)-2-[(phenethylamino)methylidene]cyclohexane-1,3-dione

Systemtic Name: 5-(4-chlorophenyl)-2-[(phenethylamino)methylidene]cyclohexane-1,3-dione Openeye Name: 5-(4-chlorophenyl)-2-[(phenethylamino)methylene]cyclohexane-1,3-dione CAS Name: 5-(4-chlorophenyl)-2-[(phenethylamino)methylidene]cyclohexane-1,3-dione IUPAC Name: 5-(4-chlorophenyl)-2-[(phenethylamino)methylidene]cyclohexane-1,3-dione Traditional Name: 5-(4-chlorophenyl)-2-[(phenethylamino)methylene]cyclohexane-1,3-quinone Formula: C21H20ClNO2 MolecularWeight: 353.842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(=CNCCC2=CC=CC=C2)C1=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1C(CC(=O)C(=CNCCC2=CC=CC=C2)C1=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClNO2/c22-18-8-6-16(7-9-18)17-12-20(24)19(21(25)13-17)14-23-11-10-15-4-2-1-3-5-15/h1-9,14,17,23H,10-13H2