N-(3,4-dimethylphenyl)-1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2,4-triazole-3-carboxamide

Systemtic Name: N-(3,4-dimethylphenyl)-1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2,4-triazole-3-carboxamide Openeye Name: N-(3,4-dimethylphenyl)-1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2,4-triazole-3-carboxamide CAS Name: N-(3,4-dimethylphenyl)-1-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-1,2,4-triazole-3-carboxamide IUPAC Name: N-(3,4-dimethylphenyl)-1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2,4-triazole-3-carboxamide Traditional Name: N-(3,4-dimethylphenyl)-1-[3-[4-(2-pyrimidyl)piperazino]propyl]-1,2,4-triazole-3-carboxamide Formula: C22H28N8O MolecularWeight: 420.51072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=NN(C=N2)CCCN3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=NN(C=N2)CCCN3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C22H28N8O/c1-17-5-6-19(15-18(17)2)26-21(31)20-25-16-30(27-20)10-4-9-28-11-13-29(14-12-28)22-23-7-3-8-24-22/h3,5-8,15-16H,4,9-14H2,1-2H3,(H,26,31)