2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]-1H-pyrimidin-4-one CAS Name: 2-[4-[(2-nitrophenyl)methyl]-1-piperazinyl]-6-[(4-phenyl-1-piperazinyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]-1H-pyrimidin-4-one Traditional Name: 2-[4-(2-nitrobenzyl)piperazino]-6-[(4-phenylpiperazino)methyl]-1H-pyrimidin-4-one Formula: C26H31N7O3 MolecularWeight: 489.56944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)N=C(N2)N3CCN(CC3)CC4=CC=CC=C4[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)N=C(N2)N3CCN(CC3)CC4=CC=CC=C4[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C26H31N7O3/c34-25-18-22(20-30-10-14-31(15-11-30)23-7-2-1-3-8-23)27-26(28-25)32-16-12-29(13-17-32)19-21-6-4-5-9-24(21)33(35)36/h1-9,18H,10-17,19-20H2,(H,27,28,34)