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

Systemtic Name: [5-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-pyrimidin-4-yl]-(3-nitrophenyl)methanone Openeye Name: [5-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-pyrimidin-4-yl]-(3-nitrophenyl)methanone CAS Name: [5-[(4-methyl-1-piperazinyl)methyl]-2-phenyl-4-pyrimidinyl]-(3-nitrophenyl)methanone IUPAC Name: [5-[(4-methylpiperazin-1-yl)methyl]-2-phenylpyrimidin-4-yl]-(3-nitrophenyl)methanone Traditional Name: [5-[(4-methylpiperazino)methyl]-2-phenyl-pyrimidin-4-yl]-(3-nitrophenyl)methanone Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CN=C(N=C2C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)CC2=CN=C(N=C2C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O3/c1-26-10-12-27(13-11-26)16-19-15-24-23(17-6-3-2-4-7-17)25-21(19)22(29)18-8-5-9-20(14-18)28(30)31/h2-9,14-15H,10-13,16H2,1H3