3,5,5-trimethyl-1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]hexan-1-one

Systemtic Name: 3,5,5-trimethyl-1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Openeye Name: 3,5,5-trimethyl-1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]hexan-1-one CAS Name: 3,5,5-trimethyl-1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-1-hexanone IUPAC Name: 3,5,5-trimethyl-1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]hexan-1-one Traditional Name: 3,5,5-trimethyl-1-[4-[6-methyl-5-(4-nitrobenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]hexan-1-one Formula: C31H39N5O3 MolecularWeight: 529.67306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)CC(C)CC(C)(C)C)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)CC(C)CC(C)(C)C)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C31H39N5O3/c1-22(21-31(3,4)5)19-28(37)34-15-17-35(18-16-34)30-27(20-24-11-13-26(14-12-24)36(38)39)23(2)32-29(33-30)25-9-7-6-8-10-25/h6-14,22H,15-21H2,1-5H3