4-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine Openeye Name: 4-(4-benzyl-1-piperidyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-[4-(4-fluorophenyl)-1-piperazinyl]-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperidino)-6-[4-(4-fluorophenyl)piperazino]-5-nitro-pyrimidine Formula: C26H29FN6O2 MolecularWeight: 476.545863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)C5=CC=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)C5=CC=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C26H29FN6O2/c27-22-6-8-23(9-7-22)30-14-16-32(17-15-30)26-24(33(34)35)25(28-19-29-26)31-12-10-21(11-13-31)18-20-4-2-1-3-5-20/h1-9,19,21H,10-18H2