4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-2-(2-methylpropyl)phthalazin-1-one

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-2-(2-methylpropyl)phthalazin-1-one Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-isobutyl-phthalazin-1-one CAS Name: 4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-2-(2-methylpropyl)-1-phthalazinone IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-isobutyl-phthalazin-1-one Formula: C25H30N4O2 MolecularWeight: 418.5313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC(C)C)C

InChI

InChI=1S/C25H30N4O2/c1-17(2)16-29-24(30)21-10-6-5-9-20(21)23(26-29)25(31)28-14-12-27(13-15-28)22-11-7-8-18(3)19(22)4/h5-11,17H,12-16H2,1-4H3