2-[[(5-bromanylthiophen-2-yl)methyl-methyl-amino]methyl]-4-(4-methylphenyl)phthalazin-1-one

Systemtic Name: 2-[[(5-bromanylthiophen-2-yl)methyl-methyl-amino]methyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[[(5-bromo-2-thienyl)methyl-methyl-amino]methyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[[(5-bromo-2-thiophenyl)methyl-methylamino]methyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[[(5-bromo-2-thienyl)methyl-methyl-amino]methyl]-4-(p-tolyl)phthalazin-1-one Formula: C22H20BrN3OS MolecularWeight: 454.3827

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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(S4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN(C)CC4=CC=C(S4)Br

InChI

InChI=1S/C22H20BrN3OS/c1-15-7-9-16(10-8-15)21-18-5-3-4-6-19(18)22(27)26(24-21)14-25(2)13-17-11-12-20(23)28-17/h3-12H,13-14H2,1-2H3