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

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-1-yl]-6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidine CAS Name: 4-[4-(diphenylmethyl)-1-piperazinyl]-6-(2-ethyl-1-piperidinyl)-5-nitropyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-6-(2-ethylpiperidin-1-yl)-5-nitropyrimidine Traditional Name: 4-(4-benzhydrylpiperazino)-6-(2-ethylpiperidino)-5-nitro-pyrimidine Formula: C28H34N6O2 MolecularWeight: 486.60856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H34N6O2/c1-2-24-15-9-10-16-33(24)28-26(34(35)36)27(29-21-30-28)32-19-17-31(18-20-32)25(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-8,11-14,21,24-25H,2,9-10,15-20H2,1H3