4-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidine

Systemtic Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(4-cinnamylpiperazin-1-yl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-6-[4-(3-phenylprop-2-enyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidine Traditional Name: 4-(4-cinnamylpiperazino)-6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidine Formula: C27H30FN7O2 MolecularWeight: 503.571203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CCN1CC=CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C27H30FN7O2/c28-23-10-4-5-11-24(23)32-17-19-34(20-18-32)27-25(35(36)37)26(29-21-30-27)33-15-13-31(14-16-33)12-6-9-22-7-2-1-3-8-22/h1-11,21H,12-20H2