2-[[(4-bromophenyl)methyl-methyl-amino]methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[[(4-bromophenyl)methyl-methyl-amino]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[(4-bromophenyl)methyl-methyl-amino]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[(4-bromophenyl)methyl-methylamino]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[(4-bromophenyl)methyl-methylamino]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[(4-bromobenzyl)-methyl-amino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C21H18BrN3OS MolecularWeight: 440.35612

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)Br)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

Isomeric SMILES

CN(CC1=CC=C(C=C1)Br)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

InChI

InChI=1S/C21H18BrN3OS/c1-24(13-15-8-10-16(22)11-9-15)14-25-21(26)18-6-3-2-5-17(18)20(23-25)19-7-4-12-27-19/h2-12H,13-14H2,1H3