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

Systemtic Name: 2,2-dimethyl-1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one Openeye Name: 2,2-dimethyl-1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one CAS Name: 2,2-dimethyl-1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 2,2-dimethyl-1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]propan-1-one Traditional Name: 2,2-dimethyl-1-[4-[6-methyl-5-(4-nitrobenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]propan-1-one Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H31N5O3/c1-19-23(18-20-10-12-22(13-11-20)32(34)35)25(29-24(28-19)21-8-6-5-7-9-21)30-14-16-31(17-15-30)26(33)27(2,3)4/h5-13H,14-18H2,1-4H3