[5-(4-fluorophenyl)-1-(6-methoxypyridin-3-yl)-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone hydrochloride

Systemtic Name: [5-(4-fluorophenyl)-1-(6-methoxypyridin-3-yl)-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone hydrochloride Openeye Name: [5-(4-fluorophenyl)-1-(6-methoxy-3-pyridyl)-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone hydrochloride CAS Name: [5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-(4-methyl-1-piperazinyl)methanone hydrochloride IUPAC Name: [5-(4-fluorophenyl)-1-(6-methoxypyridin-3-yl)-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone hydrochloride Traditional Name: [5-(4-fluorophenyl)-1-(6-methoxy-3-pyridyl)-1,2,4-triazol-3-yl]-(4-methylpiperazino)methanone hydrochloride Formula: C20H22ClFN6O2 MolecularWeight: 432.879083

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=NN(C(=N2)C3=CC=C(C=C3)F)C4=CN=C(C=C4)OC.Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=NN(C(=N2)C3=CC=C(C=C3)F)C4=CN=C(C=C4)OC.Cl

InChI

InChI=1S/C20H21FN6O2.ClH/c1-25-9-11-26(12-10-25)20(28)18-23-19(14-3-5-15(21)6-4-14)27(24-18)16-7-8-17(29-2)22-13-16;/h3-8,13H,9-12H2,1-2H3;1H