4-[(Z)-2-(3-fluorophenyl)-2-pyrrolidin-1-yl-ethenyl]-2-methyl-5-nitro-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-[(Z)-2-(3-fluorophenyl)-2-pyrrolidin-1-yl-ethenyl]-2-methyl-5-nitro-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[(Z)-2-(3-fluorophenyl)-2-pyrrolidin-1-yl-vinyl]-2-methyl-5-nitro-6-(1-piperidyl)pyrimidine CAS Name: 4-[(Z)-2-(3-fluorophenyl)-2-(1-pyrrolidinyl)ethenyl]-2-methyl-5-nitro-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[(Z)-2-(3-fluorophenyl)-2-pyrrolidin-1-ylethenyl]-2-methyl-5-nitro-6-piperidin-1-ylpyrimidine Traditional Name: 4-[(Z)-2-(3-fluorophenyl)-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)F)N4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN5O2/c1-16-24-19(21(28(29)30)22(25-16)27-12-3-2-4-13-27)15-20(26-10-5-6-11-26)17-8-7-9-18(23)14-17/h7-9,14-15H,2-6,10-13H2,1H3/b20-15-