2-[4-[4-(phenylmethyl)-5-propyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine

Systemtic Name: 2-[4-[4-(phenylmethyl)-5-propyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine Openeye Name: 2-[4-(4-benzyl-5-propyl-1,2,4-triazol-3-yl)-1-piperidyl]pyrimidine CAS Name: 2-[4-[4-(phenylmethyl)-5-propyl-1,2,4-triazol-3-yl]-1-piperidinyl]pyrimidine IUPAC Name: 2-[4-(4-benzyl-5-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine Traditional Name: 2-[4-(4-benzyl-5-propyl-1,2,4-triazol-3-yl)piperidino]pyrimidine Formula: C21H26N6 MolecularWeight: 362.47134

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC2=CC=CC=C2)C3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCCC1=NN=C(N1CC2=CC=CC=C2)C3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H26N6/c1-2-7-19-24-25-20(27(19)16-17-8-4-3-5-9-17)18-10-14-26(15-11-18)21-22-12-6-13-23-21/h3-6,8-9,12-13,18H,2,7,10-11,14-16H2,1H3