2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4-(4-methylphenyl)phthalazin-1-one

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[[4-(1,3-benzothiazol-2-yl)-1-piperidyl]methyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]methyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidino]methyl]-4-(p-tolyl)phthalazin-1-one Formula: C28H26N4OS MolecularWeight: 466.59724

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)CN4CCC(CC4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCC(CC4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C28H26N4OS/c1-19-10-12-20(13-11-19)26-22-6-2-3-7-23(22)28(33)32(30-26)18-31-16-14-21(15-17-31)27-29-24-8-4-5-9-25(24)34-27/h2-13,21H,14-18H2,1H3