4-(4-methylphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]phthalazin-1-one

Systemtic Name: 4-(4-methylphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]phthalazin-1-one Openeye Name: 2-[(4-phenylpiperazin-1-yl)methyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 4-(4-methylphenyl)-2-[(4-phenyl-1-piperazinyl)methyl]-1-phthalazinone IUPAC Name: 4-(4-methylphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]phthalazin-1-one Traditional Name: 2-[(4-phenylpiperazino)methyl]-4-(p-tolyl)phthalazin-1-one Formula: C26H26N4O MolecularWeight: 410.51084

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)CN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4O/c1-20-11-13-21(14-12-20)25-23-9-5-6-10-24(23)26(31)30(27-25)19-28-15-17-29(18-16-28)22-7-3-2-4-8-22/h2-14H,15-19H2,1H3