3-[2-(1H-benzimidazol-2-yl)ethylamino]-2-propanoyl-cyclohex-2-en-1-one

Systemtic Name: 3-[2-(1H-benzimidazol-2-yl)ethylamino]-2-propanoyl-cyclohex-2-en-1-one Openeye Name: 3-[2-(1H-benzimidazol-2-yl)ethylamino]-2-propanoyl-cyclohex-2-en-1-one CAS Name: 3-[2-(1H-benzimidazol-2-yl)ethylamino]-2-(1-oxopropyl)-1-cyclohex-2-enone IUPAC Name: 3-[2-(1H-benzimidazol-2-yl)ethylamino]-2-propanoylcyclohex-2-en-1-one Traditional Name: 3-[2-(1H-benzimidazol-2-yl)ethylamino]-2-propionyl-cyclohex-2-en-1-one Formula: C18H21N3O2 MolecularWeight: 311.37824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(CCCC1=O)NCCC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCC(=O)C1=C(CCCC1=O)NCCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H21N3O2/c1-2-15(22)18-14(8-5-9-16(18)23)19-11-10-17-20-12-6-3-4-7-13(12)21-17/h3-4,6-7,19H,2,5,8-11H2,1H3,(H,20,21)