1-cyclohexyl-4-(1H-pyrazol-4-ylcarbonyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-4-(1H-pyrazol-4-ylcarbonyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-4-(1H-pyrazole-4-carbonyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[oxo(1H-pyrazol-4-yl)methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-(1H-pyrazole-4-carbonyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-4-(1H-pyrazole-4-carbonyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O3/c27-20-14-25(21(28)17-10-23-24-11-17)12-19(29-15-16-5-4-8-22-9-16)13-26(20)18-6-2-1-3-7-18/h4-5,8-11,18-19H,1-3,6-7,12-15H2,(H,23,24)