(4-methylpiperazin-1-yl)-[4-[(3-nitrophenyl)-oxidanyl-methyl]-2-phenyl-pyrimidin-5-yl]methanone

Systemtic Name: (4-methylpiperazin-1-yl)-[4-[(3-nitrophenyl)-oxidanyl-methyl]-2-phenyl-pyrimidin-5-yl]methanone Openeye Name: [4-[hydroxy-(3-nitrophenyl)methyl]-2-phenyl-pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [4-[hydroxy-(3-nitrophenyl)methyl]-2-phenyl-5-pyrimidinyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [4-[hydroxy-(3-nitrophenyl)methyl]-2-phenylpyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [4-[hydroxy-(3-nitrophenyl)methyl]-2-phenyl-pyrimidin-5-yl]-(4-methylpiperazino)methanone Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CN=C(N=C2C(C3=CC(=CC=C3)[N+](=O)[O-])O)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CN=C(N=C2C(C3=CC(=CC=C3)[N+](=O)[O-])O)C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O4/c1-26-10-12-27(13-11-26)23(30)19-15-24-22(16-6-3-2-4-7-16)25-20(19)21(29)17-8-5-9-18(14-17)28(31)32/h2-9,14-15,21,29H,10-13H2,1H3