4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-ethylphenoxy)-5-nitro-pyrimidine

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-ethylphenoxy)-5-nitro-pyrimidine Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-ethylphenoxy)-5-nitro-pyrimidine CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-6-(4-ethylphenoxy)-5-nitropyrimidine IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-ethylphenoxy)-5-nitropyrimidine Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-6-(4-ethylphenoxy)-5-nitro-pyrimidine Formula: C22H22ClN5O3 MolecularWeight: 439.89478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN5O3/c1-2-16-6-8-19(9-7-16)31-22-20(28(29)30)21(24-15-25-22)27-12-10-26(11-13-27)18-5-3-4-17(23)14-18/h3-9,14-15H,2,10-13H2,1H3