2-[[(4-bromanyl-3-methyl-phenyl)amino]methyl]phthalazin-1-one

Systemtic Name: 2-[[(4-bromanyl-3-methyl-phenyl)amino]methyl]phthalazin-1-one Openeye Name: 2-[(4-bromo-3-methyl-anilino)methyl]phthalazin-1-one CAS Name: 2-[(4-bromo-3-methylanilino)methyl]-1-phthalazinone IUPAC Name: 2-[(4-bromo-3-methylanilino)methyl]phthalazin-1-one Traditional Name: 2-[(4-bromo-3-methyl-anilino)methyl]phthalazin-1-one Formula: C16H14BrN3O MolecularWeight: 344.20586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NCN2C(=O)C3=CC=CC=C3C=N2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NCN2C(=O)C3=CC=CC=C3C=N2)Br

InChI

InChI=1S/C16H14BrN3O/c1-11-8-13(6-7-15(11)17)18-10-20-16(21)14-5-3-2-4-12(14)9-19-20/h2-9,18H,10H2,1H3