[2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(2,4-dimethylphenyl)-5-methyl-triazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-(2,4-dimethylphenyl)-5-methyl-4-triazolyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [2-(2,4-dimethylphenyl)-5-methyltriazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(2,4-dimethylphenyl)-5-methyl-triazol-4-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C20H23N7O MolecularWeight: 377.44292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)N3CCN(CC3)C4=NC=CC=N4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)N3CCN(CC3)C4=NC=CC=N4)C)C

InChI

InChI=1S/C20H23N7O/c1-14-5-6-17(15(2)13-14)27-23-16(3)18(24-27)19(28)25-9-11-26(12-10-25)20-21-7-4-8-22-20/h4-8,13H,9-12H2,1-3H3