2-[[2-(1H-benzimidazol-2-yl)ethylamino]methylidene]cyclohexane-1,3-dione

Systemtic Name: 2-[[2-(1H-benzimidazol-2-yl)ethylamino]methylidene]cyclohexane-1,3-dione Openeye Name: 2-[[2-(1H-benzimidazol-2-yl)ethylamino]methylene]cyclohexane-1,3-dione CAS Name: 2-[[2-(1H-benzimidazol-2-yl)ethylamino]methylidene]cyclohexane-1,3-dione IUPAC Name: 2-[[2-(1H-benzimidazol-2-yl)ethylamino]methylidene]cyclohexane-1,3-dione Traditional Name: 2-[[2-(1H-benzimidazol-2-yl)ethylamino]methylene]cyclohexane-1,3-quinone Formula: C16H17N3O2 MolecularWeight: 283.32508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(=CNCCC2=NC3=CC=CC=C3N2)C(=O)C1

Isomeric SMILES

C1CC(=O)C(=CNCCC2=NC3=CC=CC=C3N2)C(=O)C1

InChI

InChI=1S/C16H17N3O2/c20-14-6-3-7-15(21)11(14)10-17-9-8-16-18-12-4-1-2-5-13(12)19-16/h1-2,4-5,10,17H,3,6-9H2,(H,18,19)