5-nitro-4-[4-(phenylmethyl)piperidin-1-yl]-6-(4-propan-2-ylphenoxy)pyrimidine

Systemtic Name: 5-nitro-4-[4-(phenylmethyl)piperidin-1-yl]-6-(4-propan-2-ylphenoxy)pyrimidine Openeye Name: 4-(4-benzyl-1-piperidyl)-6-(4-isopropylphenoxy)-5-nitro-pyrimidine CAS Name: 5-nitro-4-[4-(phenylmethyl)-1-piperidinyl]-6-(4-propan-2-ylphenoxy)pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-yl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine Traditional Name: 4-(4-benzylpiperidino)-6-(4-isopropylphenoxy)-5-nitro-pyrimidine Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O3/c1-18(2)21-8-10-22(11-9-21)32-25-23(29(30)31)24(26-17-27-25)28-14-12-20(13-15-28)16-19-6-4-3-5-7-19/h3-11,17-18,20H,12-16H2,1-2H3