4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C26H23ClN4O2 MolecularWeight: 458.93942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C26H23ClN4O2/c27-20-9-6-10-21(17-20)29-13-15-30(16-14-29)26(33)24-22-11-4-5-12-23(22)25(32)31(28-24)18-19-7-2-1-3-8-19/h1-12,17H,13-16,18H2