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

Systemtic Name: 4-(4-chlorophenyl)-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-(4-chlorophenyl)phthalazin-1-one CAS Name: 4-(4-chlorophenyl)-2-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-1-phthalazinone IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one Traditional Name: 2-[2-(4-benzylpiperidino)-2-keto-ethyl]-4-(4-chlorophenyl)phthalazin-1-one Formula: C28H26ClN3O2 MolecularWeight: 471.97794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H26ClN3O2/c29-23-12-10-22(11-13-23)27-24-8-4-5-9-25(24)28(34)32(30-27)19-26(33)31-16-14-21(15-17-31)18-20-6-2-1-3-7-20/h1-13,21H,14-19H2