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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl)C

InChI

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