4-(3,4-dimethylphenoxy)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine

Systemtic Name: 4-(3,4-dimethylphenoxy)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine Openeye Name: 4-(4-benzyl-1-piperidyl)-6-(3,4-dimethylphenoxy)-5-nitro-pyrimidine CAS Name: 4-(3,4-dimethylphenoxy)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-yl)-6-(3,4-dimethylphenoxy)-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperidino)-6-(3,4-dimethylphenoxy)-5-nitro-pyrimidine Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4)C

InChI

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