4-(2-fluoranylphenoxy)-6-[3-methyl-4-[(3-nitrophenyl)methyl]piperazin-1-yl]pyrimidine

Systemtic Name: 4-(2-fluoranylphenoxy)-6-[3-methyl-4-[(3-nitrophenyl)methyl]piperazin-1-yl]pyrimidine Openeye Name: 4-(2-fluorophenoxy)-6-[3-methyl-4-[(3-nitrophenyl)methyl]piperazin-1-yl]pyrimidine CAS Name: 4-(2-fluorophenoxy)-6-[3-methyl-4-[(3-nitrophenyl)methyl]-1-piperazinyl]pyrimidine IUPAC Name: 4-(2-fluorophenoxy)-6-[3-methyl-4-[(3-nitrophenyl)methyl]piperazin-1-yl]pyrimidine Traditional Name: 4-(2-fluorophenoxy)-6-[3-methyl-4-(3-nitrobenzyl)piperazino]pyrimidine Formula: C22H22FN5O3 MolecularWeight: 423.440183

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=NC=N3)OC4=CC=CC=C4F

Isomeric SMILES

CC1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=NC=N3)OC4=CC=CC=C4F

InChI

InChI=1S/C22H22FN5O3/c1-16-13-27(10-9-26(16)14-17-5-4-6-18(11-17)28(29)30)21-12-22(25-15-24-21)31-20-8-3-2-7-19(20)23/h2-8,11-12,15-16H,9-10,13-14H2,1H3