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

Systemtic Name: 4-[(Z)-2-(2-fluorophenyl)-2-pyrrolidin-1-yl-ethenyl]-2-methyl-5-nitro-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[(Z)-2-(2-fluorophenyl)-2-pyrrolidin-1-yl-vinyl]-2-methyl-5-nitro-6-(1-piperidyl)pyrimidine CAS Name: 4-[(Z)-2-(2-fluorophenyl)-2-(1-pyrrolidinyl)ethenyl]-2-methyl-5-nitro-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[(Z)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethenyl]-2-methyl-5-nitro-6-piperidin-1-ylpyrimidine Traditional Name: 4-[(Z)-2-(2-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=C3F)N4CCCC4

Isomeric SMILES

CC1=NC(=C(C(=N1)N2CCCCC2)[N+](=O)[O-])/C=C(/C3=CC=CC=C3F)\N4CCCC4

InChI

InChI=1S/C22H26FN5O2/c1-16-24-19(21(28(29)30)22(25-16)27-13-5-2-6-14-27)15-20(26-11-7-8-12-26)17-9-3-4-10-18(17)23/h3-4,9-10,15H,2,5-8,11-14H2,1H3/b20-15-