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

Systemtic Name: 3,3-dimethyl-1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]butan-1-one CAS Name: 3,3-dimethyl-1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]butan-1-one Traditional Name: 3,3-dimethyl-1-[4-[6-methyl-5-(4-nitrobenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]butan-1-one Formula: C28H33N5O3 MolecularWeight: 487.59332

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H33N5O3/c1-20-24(18-21-10-12-23(13-11-21)33(35)36)27(30-26(29-20)22-8-6-5-7-9-22)32-16-14-31(15-17-32)25(34)19-28(2,3)4/h5-13H,14-19H2,1-4H3