1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-[2,6-dimethyl-5-(4-nitrobenzyl)pyrimidin-4-yl]piperazino]-2-phenoxy-ethanone Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)COC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)COC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O4/c1-18-23(16-20-8-10-21(11-9-20)30(32)33)25(27-19(2)26-18)29-14-12-28(13-15-29)24(31)17-34-22-6-4-3-5-7-22/h3-11H,12-17H2,1-2H3