2-[4-[5-methyl-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine

Systemtic Name: 2-[4-[5-methyl-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine Openeye Name: 2-[4-[4-(2-isopropylphenyl)-5-methyl-1,2,4-triazol-3-yl]-1-piperidyl]pyrimidine CAS Name: 2-[4-[5-methyl-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]-1-piperidinyl]pyrimidine IUPAC Name: 2-[4-[5-methyl-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine Traditional Name: 2-[4-(5-methyl-4-o-cumenyl-1,2,4-triazol-3-yl)piperidino]pyrimidine Formula: C21H26N6 MolecularWeight: 362.47134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2C(C)C)C3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2C(C)C)C3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H26N6/c1-15(2)18-7-4-5-8-19(18)27-16(3)24-25-20(27)17-9-13-26(14-10-17)21-22-11-6-12-23-21/h4-8,11-12,15,17H,9-10,13-14H2,1-3H3