1-cyclohexyl-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-6-(2-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-6-(2-pyridylmethoxy)-1,4-diazepan-2-one Formula: C28H35N5O3 MolecularWeight: 489.6092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=NN2)CN3CC(CN(C(=O)C3)C4CCCCC4)OCC5=CC=CC=N5

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=NN2)CN3CC(CN(C(=O)C3)C4CCCCC4)OCC5=CC=CC=N5

InChI

InChI=1S/C28H35N5O3/c1-35-25-12-10-21(11-13-25)28-22(15-30-31-28)16-32-17-26(36-20-23-7-5-6-14-29-23)18-33(27(34)19-32)24-8-3-2-4-9-24/h5-7,10-15,24,26H,2-4,8-9,16-20H2,1H3,(H,30,31)