3-[2-(1H-benzimidazol-2-yl)ethylamino]-5,5-dimethyl-2-(phenylcarbonyl)cyclohex-2-en-1-one

Systemtic Name: 3-[2-(1H-benzimidazol-2-yl)ethylamino]-5,5-dimethyl-2-(phenylcarbonyl)cyclohex-2-en-1-one Openeye Name: 3-[2-(1H-benzimidazol-2-yl)ethylamino]-2-benzoyl-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-[2-(1H-benzimidazol-2-yl)ethylamino]-2-benzoyl-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 3-[2-(1H-benzimidazol-2-yl)ethylamino]-2-benzoyl-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-[2-(1H-benzimidazol-2-yl)ethylamino]-2-benzoyl-5,5-dimethyl-cyclohex-2-en-1-one Formula: C24H25N3O2 MolecularWeight: 387.4742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(=O)C2=CC=CC=C2)NCCC3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(=O)C2=CC=CC=C2)NCCC3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C24H25N3O2/c1-24(2)14-19(22(20(28)15-24)23(29)16-8-4-3-5-9-16)25-13-12-21-26-17-10-6-7-11-18(17)27-21/h3-11,25H,12-15H2,1-2H3,(H,26,27)