1-cyclohexyl-6-(pyridin-3-ylmethoxy)-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbonyl]-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-6-(pyridin-3-ylmethoxy)-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbonyl]-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-6-(3-pyridylmethoxy)-4-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[oxo-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-6-(pyridin-3-ylmethoxy)-4-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-6-(3-pyridylmethoxy)-4-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-1,4-diazepan-2-one Formula: C22H26F3N5O3 MolecularWeight: 465.46875

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)C3=NNC(=C3)C(F)(F)F)OCC4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)C3=NNC(=C3)C(F)(F)F)OCC4=CN=CC=C4

InChI

InChI=1S/C22H26F3N5O3/c23-22(24,25)19-9-18(27-28-19)21(32)29-11-17(33-14-15-5-4-8-26-10-15)12-30(20(31)13-29)16-6-2-1-3-7-16/h4-5,8-10,16-17H,1-3,6-7,11-14H2,(H,27,28)