4-(4-methylphenyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]phthalazin-1-one

Systemtic Name: 4-(4-methylphenyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]phthalazin-1-one Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 4-(4-methylphenyl)-2-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-1-phthalazinone IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[2-(4-benzylpiperidino)-2-keto-ethyl]-4-(p-tolyl)phthalazin-1-one Formula: C29H29N3O2 MolecularWeight: 451.55946

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)CC(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O2/c1-21-11-13-24(14-12-21)28-25-9-5-6-10-26(25)29(34)32(30-28)20-27(33)31-17-15-23(16-18-31)19-22-7-3-2-4-8-22/h2-14,23H,15-20H2,1H3