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

Systemtic Name: 2-methyl-1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one Openeye Name: 2-methyl-1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one CAS Name: 2-methyl-1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-methyl-1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]propan-1-one Traditional Name: 2-methyl-1-[4-[6-methyl-5-(4-nitrobenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]propan-1-one Formula: C26H29N5O3 MolecularWeight: 459.54016

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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)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)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H29N5O3/c1-18(2)26(32)30-15-13-29(14-16-30)25-23(17-20-9-11-22(12-10-20)31(33)34)19(3)27-24(28-25)21-7-5-4-6-8-21/h4-12,18H,13-17H2,1-3H3