4-(4-methylphenyl)-2-[3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propyl]phthalazin-1-one

Systemtic Name: 4-(4-methylphenyl)-2-[3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propyl]phthalazin-1-one Openeye Name: 2-[3-(4-benzyl-1-piperidyl)-3-oxo-propyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 4-(4-methylphenyl)-2-[3-oxo-3-[4-(phenylmethyl)-1-piperidinyl]propyl]-1-phthalazinone IUPAC Name: 2-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[3-(4-benzylpiperidino)-3-keto-propyl]-4-(p-tolyl)phthalazin-1-one Formula: C30H31N3O2 MolecularWeight: 465.58604

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

Isomeric SMILES

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

InChI

InChI=1S/C30H31N3O2/c1-22-11-13-25(14-12-22)29-26-9-5-6-10-27(26)30(35)33(31-29)20-17-28(34)32-18-15-24(16-19-32)21-23-7-3-2-4-8-23/h2-14,24H,15-21H2,1H3