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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CN=C(N=C2CC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CN=C(N=C2CC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

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