2-[[(4-dimethylaminophenyl)methyl-methyl-amino]methyl]-4-(4-methylphenyl)phthalazin-1-one

Systemtic Name: 2-[[(4-dimethylaminophenyl)methyl-methyl-amino]methyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[[(4-dimethylaminophenyl)methyl-methyl-amino]methyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[[(4-dimethylaminophenyl)methyl-methylamino]methyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[[(4-dimethylaminophenyl)methyl-methylamino]methyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[[[4-(dimethylamino)benzyl]-methyl-amino]methyl]-4-(p-tolyl)phthalazin-1-one Formula: C26H28N4O MolecularWeight: 412.52672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN(C)CC4=CC=C(C=C4)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN(C)CC4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C26H28N4O/c1-19-9-13-21(14-10-19)25-23-7-5-6-8-24(23)26(31)30(27-25)18-29(4)17-20-11-15-22(16-12-20)28(2)3/h5-16H,17-18H2,1-4H3