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

Systemtic Name: [5-(4-methylpiperazin-1-yl)carbonyl-2-phenyl-pyrimidin-4-yl]-(3-nitrophenyl)methanone Openeye Name: [5-(4-methylpiperazine-1-carbonyl)-2-phenyl-pyrimidin-4-yl]-(3-nitrophenyl)methanone CAS Name: [5-[(4-methyl-1-piperazinyl)-oxomethyl]-2-phenyl-4-pyrimidinyl]-(3-nitrophenyl)methanone IUPAC Name: [5-(4-methylpiperazine-1-carbonyl)-2-phenylpyrimidin-4-yl]-(3-nitrophenyl)methanone Traditional Name: [5-(4-methylpiperazine-1-carbonyl)-2-phenyl-pyrimidin-4-yl]-(3-nitrophenyl)methanone Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O4/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/h2-9,14-15H,10-13H2,1H3