4-[4-(diphenylmethyl)piperazin-1-yl]-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidine

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-1-yl]-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-[4-(diphenylmethyl)-1-piperazinyl]-6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-(4-benzhydrylpiperazino)-6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidine Formula: C31H32FN7O2 MolecularWeight: 553.629883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C31H32FN7O2/c32-26-13-7-8-14-27(26)35-15-19-37(20-16-35)30-29(39(40)41)31(34-23-33-30)38-21-17-36(18-22-38)28(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-14,23,28H,15-22H2