4-[2-(2-oxidanylidenecyclohexyl)-2-phenyl-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-(2-oxidanylidenecyclohexyl)-2-phenyl-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-(2-oxocyclohexyl)-2-phenyl-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-(2-oxocyclohexyl)-2-phenylethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-(2-oxocyclohexyl)-2-phenylethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-(2-ketocyclohexyl)-2-phenyl-ethyl]-2H-phthalazin-1-one Formula: C22H22N2O2 MolecularWeight: 346.42228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)C(CC2=NNC(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)C(C1)C(CC2=NNC(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O2/c25-21-13-7-6-11-17(21)19(15-8-2-1-3-9-15)14-20-16-10-4-5-12-18(16)22(26)24-23-20/h1-5,8-10,12,17,19H,6-7,11,13-14H2,(H,24,26)