4-(4-bromophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phthalazin-1-one

Systemtic Name: 4-(4-bromophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phthalazin-1-one Openeye Name: 4-(4-bromophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phthalazin-1-one CAS Name: 4-(4-bromophenyl)-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 4-(4-bromophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phthalazin-1-one Traditional Name: 4-(4-bromophenyl)-2-[[4-(2-pyrimidyl)piperazino]methyl]phthalazin-1-one Formula: C23H21BrN6O MolecularWeight: 477.35644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Br)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Br)C5=NC=CC=N5

InChI

InChI=1S/C23H21BrN6O/c24-18-8-6-17(7-9-18)21-19-4-1-2-5-20(19)22(31)30(27-21)16-28-12-14-29(15-13-28)23-25-10-3-11-26-23/h1-11H,12-16H2