4-[(E)-1-fluoranyl-2-phenyl-2-pyrrolidin-1-yl-ethenyl]-2-methyl-5-nitro-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-[(E)-1-fluoranyl-2-phenyl-2-pyrrolidin-1-yl-ethenyl]-2-methyl-5-nitro-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[(E)-1-fluoro-2-phenyl-2-pyrrolidin-1-yl-vinyl]-2-methyl-5-nitro-6-(1-piperidyl)pyrimidine CAS Name: 4-[(E)-1-fluoro-2-phenyl-2-(1-pyrrolidinyl)ethenyl]-2-methyl-5-nitro-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[(E)-1-fluoro-2-phenyl-2-pyrrolidin-1-ylethenyl]-2-methyl-5-nitro-6-piperidin-1-ylpyrimidine Traditional Name: 4-[(E)-1-fluoro-2-phenyl-2-pyrrolidino-vinyl]-2-methyl-5-nitro-6-piperidino-pyrimidine Formula: C22H26FN5O2 MolecularWeight: 411.472543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)N2CCCCC2)[N+](=O)[O-])C(=C(C3=CC=CC=C3)N4CCCC4)F

Isomeric SMILES

CC1=NC(=C(C(=N1)N2CCCCC2)[N+](=O)[O-])/C(=C(/C3=CC=CC=C3)\N4CCCC4)/F

InChI

InChI=1S/C22H26FN5O2/c1-16-24-19(21(28(29)30)22(25-16)27-14-6-3-7-15-27)18(23)20(26-12-8-9-13-26)17-10-4-2-5-11-17/h2,4-5,10-11H,3,6-9,12-15H2,1H3/b20-18+