[4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-[6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-[6-methyl-2-(4-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-[6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazino]-(3-nitrophenyl)methanone Formula: C23H23N5O3 MolecularWeight: 417.46042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CC(=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CC(=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H23N5O3/c1-16-6-8-18(9-7-16)22-24-17(2)14-21(25-22)26-10-12-27(13-11-26)23(29)19-4-3-5-20(15-19)28(30)31/h3-9,14-15H,10-13H2,1-2H3