5-(1-benzofuran-2-yl)-3-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine

Systemtic Name: 5-(1-benzofuran-2-yl)-3-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine Openeye Name: 5-(benzofuran-2-yl)-3-[(3S)-3-(3-pyridylmethoxy)-1-piperidyl]-1,2,4-triazine CAS Name: 5-(2-benzofuranyl)-3-[(3S)-3-(3-pyridinylmethoxy)-1-piperidinyl]-1,2,4-triazine IUPAC Name: 5-(1-benzofuran-2-yl)-3-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine Traditional Name: 5-(benzofuran-2-yl)-3-[(3S)-3-(3-pyridylmethoxy)piperidino]-1,2,4-triazine Formula: C22H21N5O2 MolecularWeight: 387.43444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=CN=N2)C3=CC4=CC=CC=C4O3)OCC5=CN=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC(=CN=N2)C3=CC4=CC=CC=C4O3)OCC5=CN=CC=C5

InChI

InChI=1S/C22H21N5O2/c1-2-8-20-17(6-1)11-21(29-20)19-13-24-26-22(25-19)27-10-4-7-18(14-27)28-15-16-5-3-9-23-12-16/h1-3,5-6,8-9,11-13,18H,4,7,10,14-15H2/t18-/m0/s1