4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-(2-fluorobenzyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C27H25FN4O2 MolecularWeight: 456.511403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2F)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2F)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H25FN4O2/c28-24-13-7-4-10-21(24)19-30-14-16-31(17-15-30)27(34)25-22-11-5-6-12-23(22)26(33)32(29-25)18-20-8-2-1-3-9-20/h1-13H,14-19H2