1-cyclohexyl-4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[[1-(2-methoxyphenyl)-4-pyrazolyl]methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C28H35N5O3 MolecularWeight: 489.6092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=C(C=N2)CN3CC(CN(C(=O)C3)C4CCCCC4)OCC5=CN=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2C=C(C=N2)CN3CC(CN(C(=O)C3)C4CCCCC4)OCC5=CN=CC=C5

InChI

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