5-phenyl-2-[(pyridin-4-ylmethylamino)methylidene]cyclohexane-1,3-dione

Systemtic Name: 5-phenyl-2-[(pyridin-4-ylmethylamino)methylidene]cyclohexane-1,3-dione Openeye Name: 5-phenyl-2-[(4-pyridylmethylamino)methylene]cyclohexane-1,3-dione CAS Name: 5-phenyl-2-[(pyridin-4-ylmethylamino)methylidene]cyclohexane-1,3-dione IUPAC Name: 5-phenyl-2-[(pyridin-4-ylmethylamino)methylidene]cyclohexane-1,3-dione Traditional Name: 5-phenyl-2-[(4-pyridylmethylamino)methylene]cyclohexane-1,3-quinone Formula: C19H18N2O2 MolecularWeight: 306.35842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(=CNCC2=CC=NC=C2)C1=O)C3=CC=CC=C3

Isomeric SMILES

C1C(CC(=O)C(=CNCC2=CC=NC=C2)C1=O)C3=CC=CC=C3

InChI

InChI=1S/C19H18N2O2/c22-18-10-16(15-4-2-1-3-5-15)11-19(23)17(18)13-21-12-14-6-8-20-9-7-14/h1-9,13,16,21H,10-12H2