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

Systemtic Name: [5-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-pyrimidin-4-yl]-(4-nitrophenyl)methanone Openeye Name: [5-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-pyrimidin-4-yl]-(4-nitrophenyl)methanone CAS Name: [5-[(4-methyl-1-piperazinyl)methyl]-2-phenyl-4-pyrimidinyl]-(4-nitrophenyl)methanone IUPAC Name: [5-[(4-methylpiperazin-1-yl)methyl]-2-phenylpyrimidin-4-yl]-(4-nitrophenyl)methanone Traditional Name: [5-[(4-methylpiperazino)methyl]-2-phenyl-pyrimidin-4-yl]-(4-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=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

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

InChI

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