4-[(Z)-2-[3,4-bis(fluoranyl)phenyl]-2-pyrrolidin-1-yl-ethenyl]-2-methyl-5-nitro-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-[(Z)-2-[3,4-bis(fluoranyl)phenyl]-2-pyrrolidin-1-yl-ethenyl]-2-methyl-5-nitro-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[(Z)-2-(3,4-difluorophenyl)-2-pyrrolidin-1-yl-vinyl]-2-methyl-5-nitro-6-(1-piperidyl)pyrimidine CAS Name: 4-[(Z)-2-(3,4-difluorophenyl)-2-(1-pyrrolidinyl)ethenyl]-2-methyl-5-nitro-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[(Z)-2-(3,4-difluorophenyl)-2-pyrrolidin-1-ylethenyl]-2-methyl-5-nitro-6-piperidin-1-ylpyrimidine Traditional Name: 4-[(Z)-2-(3,4-difluorophenyl)-2-pyrrolidino-vinyl]-2-methyl-5-nitro-6-piperidino-pyrimidine Formula: C22H25F2N5O2 MolecularWeight: 429.463006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25F2N5O2/c1-15-25-19(21(29(30)31)22(26-15)28-11-3-2-4-12-28)14-20(27-9-5-6-10-27)16-7-8-17(23)18(24)13-16/h7-8,13-14H,2-6,9-12H2,1H3/b20-14-