N-ethyl-4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-ethyl-4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-ethyl-4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-ethyl-4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-ethyl-4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-ethyl-4-[6-methyl-5-(4-nitrobenzyl)-2-phenyl-pyrimidin-4-yl]piperazine-1-carboxamide Formula: C25H28N6O3 MolecularWeight: 460.52822

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)[N+](=O)[O-])C)C4=CC=CC=C4

Isomeric SMILES

CCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)[N+](=O)[O-])C)C4=CC=CC=C4

InChI

InChI=1S/C25H28N6O3/c1-3-26-25(32)30-15-13-29(14-16-30)24-22(17-19-9-11-21(12-10-19)31(33)34)18(2)27-23(28-24)20-7-5-4-6-8-20/h4-12H,3,13-17H2,1-2H3,(H,26,32)