4-(4-methylphenyl)-2-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]phthalazin-1-one

Systemtic Name: 4-(4-methylphenyl)-2-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]phthalazin-1-one Openeye Name: 2-[2-[4-(2-isopropoxyphenyl)piperazin-1-yl]ethyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 4-(4-methylphenyl)-2-[2-[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]ethyl]-1-phthalazinone IUPAC Name: 4-(4-methylphenyl)-2-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]phthalazin-1-one Traditional Name: 2-[2-[4-(2-isopropoxyphenyl)piperazino]ethyl]-4-(p-tolyl)phthalazin-1-one Formula: C30H34N4O2 MolecularWeight: 482.61656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCN4CCN(CC4)C5=CC=CC=C5OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCN4CCN(CC4)C5=CC=CC=C5OC(C)C

InChI

InChI=1S/C30H34N4O2/c1-22(2)36-28-11-7-6-10-27(28)33-19-16-32(17-20-33)18-21-34-30(35)26-9-5-4-8-25(26)29(31-34)24-14-12-23(3)13-15-24/h4-15,22H,16-21H2,1-3H3