2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-(2,5-dimethylphenyl)phthalazin-1-one

Systemtic Name: 2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-(2,5-dimethylphenyl)phthalazin-1-one Openeye Name: 2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-(2,5-dimethylphenyl)phthalazin-1-one CAS Name: 2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-(2,5-dimethylphenyl)-1-phthalazinone IUPAC Name: 2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-(2,5-dimethylphenyl)phthalazin-1-one Traditional Name: 2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-(2,5-dimethylphenyl)phthalazin-1-one Formula: C26H24N4OS MolecularWeight: 440.55996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CN(C)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CN(C)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H24N4OS/c1-17-12-13-18(2)21(14-17)25-19-8-4-5-9-20(19)26(31)30(28-25)16-29(3)15-24-27-22-10-6-7-11-23(22)32-24/h4-14H,15-16H2,1-3H3