1-cyclohexyl-4-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethanoyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-4-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethanoyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-4-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetyl]-6-(2-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[1-oxo-2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-4-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetyl]-6-(2-pyridylmethoxy)-1,4-diazepan-2-one Formula: C27H32N6O3 MolecularWeight: 488.58138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)CC3=NC(=NN3)C4=CC=CC=C4)OCC5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)CC3=NC(=NN3)C4=CC=CC=C4)OCC5=CC=CC=N5

InChI

InChI=1S/C27H32N6O3/c34-25(15-24-29-27(31-30-24)20-9-3-1-4-10-20)32-16-23(36-19-21-11-7-8-14-28-21)17-33(26(35)18-32)22-12-5-2-6-13-22/h1,3-4,7-11,14,22-23H,2,5-6,12-13,15-19H2,(H,29,30,31)