[5-(3-fluoranyl-4-methyl-phenyl)-1-(6-methoxypyridin-3-yl)-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [5-(3-fluoranyl-4-methyl-phenyl)-1-(6-methoxypyridin-3-yl)-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [5-(3-fluoro-4-methyl-phenyl)-1-(6-methoxy-3-pyridyl)-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [5-(3-fluoro-4-methylphenyl)-1-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [5-(3-fluoro-4-methylphenyl)-1-(6-methoxypyridin-3-yl)-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [5-(3-fluoro-4-methyl-phenyl)-1-(6-methoxy-3-pyridyl)-1,2,4-triazol-3-yl]-(4-methylpiperazino)methanone Formula: C21H23FN6O2 MolecularWeight: 410.444723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC(=NN2C3=CN=C(C=C3)OC)C(=O)N4CCN(CC4)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC(=NN2C3=CN=C(C=C3)OC)C(=O)N4CCN(CC4)C)F

InChI

InChI=1S/C21H23FN6O2/c1-14-4-5-15(12-17(14)22)20-24-19(21(29)27-10-8-26(2)9-11-27)25-28(20)16-6-7-18(30-3)23-13-16/h4-7,12-13H,8-11H2,1-3H3