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

Systemtic Name: 4-(3-fluoranylphenoxy)-6-[3-methyl-4-[(3-nitrophenyl)methyl]piperazin-1-yl]pyrimidine Openeye Name: 4-(3-fluorophenoxy)-6-[3-methyl-4-[(3-nitrophenyl)methyl]piperazin-1-yl]pyrimidine CAS Name: 4-(3-fluorophenoxy)-6-[3-methyl-4-[(3-nitrophenyl)methyl]-1-piperazinyl]pyrimidine IUPAC Name: 4-(3-fluorophenoxy)-6-[3-methyl-4-[(3-nitrophenyl)methyl]piperazin-1-yl]pyrimidine Traditional Name: 4-(3-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=C4)F

Isomeric SMILES

CC1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=NC=N3)OC4=CC(=CC=C4)F

InChI

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