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

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-1-yl]-6-(4-methoxyphenoxy)-5-nitro-pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-6-(4-methoxyphenoxy)-5-nitro-pyrimidine CAS Name: 4-[4-(diphenylmethyl)-1-piperazinyl]-6-(4-methoxyphenoxy)-5-nitropyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-6-(4-methoxyphenoxy)-5-nitropyrimidine Traditional Name: 4-(4-benzhydrylpiperazino)-6-(4-methoxyphenoxy)-5-nitro-pyrimidine Formula: C28H27N5O4 MolecularWeight: 497.54508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N5O4/c1-36-23-12-14-24(15-13-23)37-28-26(33(34)35)27(29-20-30-28)32-18-16-31(17-19-32)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,20,25H,16-19H2,1H3