(E)-3-[3-(4-chlorophenyl)-1-adamantyl]-1-(1H-imidazol-5-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[3-(4-chlorophenyl)-1-adamantyl]-1-(1H-imidazol-5-yl)prop-2-en-1-one Openeye Name: (E)-3-[3-(4-chlorophenyl)-1-adamantyl]-1-(1H-imidazol-5-yl)prop-2-en-1-one CAS Name: (E)-3-[3-(4-chlorophenyl)-1-adamantyl]-1-(1H-imidazol-5-yl)-2-propen-1-one IUPAC Name: (E)-3-[3-(4-chlorophenyl)-1-adamantyl]-1-(1H-imidazol-5-yl)prop-2-en-1-one Traditional Name: (E)-3-[3-(4-chlorophenyl)-1-adamantyl]-1-(1H-imidazol-5-yl)prop-2-en-1-one Formula: C22H23ClN2O MolecularWeight: 366.88382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)Cl)C=CC(=O)C5=CN=CN5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)Cl)/C=C/C(=O)C5=CN=CN5

InChI

InChI=1S/C22H23ClN2O/c23-18-3-1-17(2-4-18)22-10-15-7-16(11-22)9-21(8-15,13-22)6-5-20(26)19-12-24-14-25-19/h1-6,12,14-16H,7-11,13H2,(H,24,25)/b6-5+