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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1CC2=CC=CC=C2)C3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(C)C1=NN=C(N1CC2=CC=CC=C2)C3CCN(CC3)C4=NC=CC=N4

InChI

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