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

Systemtic Name: 4-[4-(2-hydroxyphenyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-(2-hydroxyphenyl)-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C26H24N4O3 MolecularWeight: 440.49376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2O)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2O)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C26H24N4O3/c31-23-13-7-6-12-22(23)28-14-16-29(17-15-28)26(33)24-20-10-4-5-11-21(20)25(32)30(27-24)18-19-8-2-1-3-9-19/h1-13,31H,14-18H2