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

Systemtic Name: 4-(4-ethylphenoxy)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine Openeye Name: 4-(4-benzyl-1-piperidyl)-6-(4-ethylphenoxy)-5-nitro-pyrimidine CAS Name: 4-(4-ethylphenoxy)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-yl)-6-(4-ethylphenoxy)-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperidino)-6-(4-ethylphenoxy)-5-nitro-pyrimidine Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3/c1-2-18-8-10-21(11-9-18)31-24-22(28(29)30)23(25-17-26-24)27-14-12-20(13-15-27)16-19-6-4-3-5-7-19/h3-11,17,20H,2,12-16H2,1H3