[6-(oxan-3-ylmethylamino)pyridin-3-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

Systemtic Name: [6-(oxan-3-ylmethylamino)pyridin-3-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone Openeye Name: [4-(2-pyrazol-1-ylethyl)-1-piperidyl]-[6-(tetrahydropyran-3-ylmethylamino)-3-pyridyl]methanone CAS Name: [6-(3-oxanylmethylamino)-3-pyridinyl]-[4-[2-(1-pyrazolyl)ethyl]-1-piperidinyl]methanone IUPAC Name: [6-(oxan-3-ylmethylamino)pyridin-3-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone Traditional Name: [4-(2-pyrazol-1-ylethyl)piperidino]-[6-(tetrahydropyran-3-ylmethylamino)-3-pyridyl]methanone Formula: C22H31N5O2 MolecularWeight: 397.51384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(COC1)CNC2=NC=C(C=C2)C(=O)N3CCC(CC3)CCN4C=CC=N4

Isomeric SMILES

C1CC(COC1)CNC2=NC=C(C=C2)C(=O)N3CCC(CC3)CCN4C=CC=N4

InChI

InChI=1S/C22H31N5O2/c28-22(26-11-6-18(7-12-26)8-13-27-10-2-9-25-27)20-4-5-21(24-16-20)23-15-19-3-1-14-29-17-19/h2,4-5,9-10,16,18-19H,1,3,6-8,11-15,17H2,(H,23,24)