4-(2,5-dimethylphenyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]phthalazin-1-one

Systemtic Name: 4-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)phthalazin-1-one CAS Name: 4-(2,5-dimethylphenyl)-2-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-1-phthalazinone IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-(2,5-dimethylphenyl)phthalazin-1-one Traditional Name: 2-[2-(4-benzylpiperidino)-2-keto-ethyl]-4-(2,5-dimethylphenyl)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)C)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C30H31N3O2/c1-21-12-13-22(2)27(18-21)29-25-10-6-7-11-26(25)30(35)33(31-29)20-28(34)32-16-14-24(15-17-32)19-23-8-4-3-5-9-23/h3-13,18,24H,14-17,19-20H2,1-2H3