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

Systemtic Name: [1-(4-methylphenyl)-5-(6-methylpyridin-3-yl)-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone hydrochloride Openeye Name: (4-methylpiperazin-1-yl)-[5-(6-methyl-3-pyridyl)-1-(p-tolyl)-1,2,4-triazol-3-yl]methanone hydrochloride CAS Name: [1-(4-methylphenyl)-5-(6-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-(4-methyl-1-piperazinyl)methanone hydrochloride IUPAC Name: [1-(4-methylphenyl)-5-(6-methylpyridin-3-yl)-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone hydrochloride Traditional Name: (4-methylpiperazino)-[5-(6-methyl-3-pyridyl)-1-(p-tolyl)-1,2,4-triazol-3-yl]methanone hydrochloride Formula: C21H25ClN6O MolecularWeight: 412.9158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)N3CCN(CC3)C)C4=CN=C(C=C4)C.Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)N3CCN(CC3)C)C4=CN=C(C=C4)C.Cl

InChI

InChI=1S/C21H24N6O.ClH/c1-15-4-8-18(9-5-15)27-20(17-7-6-16(2)22-14-17)23-19(24-27)21(28)26-12-10-25(3)11-13-26;/h4-9,14H,10-13H2,1-3H3;1H