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

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-1-yl]-6-(4-ethylphenoxy)-5-nitro-pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-6-(4-ethylphenoxy)-5-nitro-pyrimidine CAS Name: 4-[4-(diphenylmethyl)-1-piperazinyl]-6-(4-ethylphenoxy)-5-nitropyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-6-(4-ethylphenoxy)-5-nitropyrimidine Traditional Name: 4-(4-benzhydrylpiperazino)-6-(4-ethylphenoxy)-5-nitro-pyrimidine Formula: C29H29N5O3 MolecularWeight: 495.57226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCC1=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/C29H29N5O3/c1-2-22-13-15-25(16-14-22)37-29-27(34(35)36)28(30-21-31-29)33-19-17-32(18-20-33)26(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-16,21,26H,2,17-20H2,1H3