N-methyl-5-phenyl-N-pyridin-2-yl-4-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrimidin-2-amine

Systemtic Name: N-methyl-5-phenyl-N-pyridin-2-yl-4-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrimidin-2-amine Openeye Name: N-methyl-5-phenyl-N-(2-pyridyl)-4-[4-[[4-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]-1-piperidyl]methyl]phenyl]pyrimidin-2-amine CAS Name: N-methyl-5-phenyl-N-(2-pyridinyl)-4-[4-[[4-[3-(2-pyridinyl)-1H-1,2,4-triazol-5-yl]-1-piperidinyl]methyl]phenyl]-2-pyrimidinamine IUPAC Name: N-methyl-5-phenyl-N-pyridin-2-yl-4-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrimidin-2-amine Traditional Name: methyl-[5-phenyl-4-[4-[[4-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]piperidino]methyl]phenyl]pyrimidin-2-yl]-(2-pyridyl)amine Formula: C35H33N9 MolecularWeight: 579.69682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=N1)C2=NC=C(C(=N2)C3=CC=C(C=C3)CN4CCC(CC4)C5=NC(=NN5)C6=CC=CC=N6)C7=CC=CC=C7

Isomeric SMILES

CN(C1=CC=CC=N1)C2=NC=C(C(=N2)C3=CC=C(C=C3)CN4CCC(CC4)C5=NC(=NN5)C6=CC=CC=N6)C7=CC=CC=C7

InChI

InChI=1S/C35H33N9/c1-43(31-12-6-8-20-37-31)35-38-23-29(26-9-3-2-4-10-26)32(39-35)27-15-13-25(14-16-27)24-44-21-17-28(18-22-44)33-40-34(42-41-33)30-11-5-7-19-36-30/h2-16,19-20,23,28H,17-18,21-22,24H2,1H3,(H,40,41,42)