1-[4-[2-(4-methylpiperazin-1-yl)ethyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-[2-(4-methylpiperazin-1-yl)ethyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-[2-(4-methylpiperazin-1-yl)ethyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]ethanone CAS Name: 1-[4-[2-(4-methyl-1-piperazinyl)ethyl]-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinyl]ethanone IUPAC Name: 1-[4-[2-(4-methylpiperazin-1-yl)ethyl]-6-(3-nitrophenyl)-2-phenylpyrimidin-5-yl]ethanone Traditional Name: 1-[4-[2-(4-methylpiperazino)ethyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]ethanone Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N=C(N=C1CCN2CCN(CC2)C)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=C(N=C(N=C1CCN2CCN(CC2)C)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O3/c1-18(31)23-22(11-12-29-15-13-28(2)14-16-29)26-25(19-7-4-3-5-8-19)27-24(23)20-9-6-10-21(17-20)30(32)33/h3-10,17H,11-16H2,1-2H3