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

Systemtic Name: 4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-(2-methylpropyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-isobutyl-6-(2-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-(2-methylpropyl)-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-methylpropyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-isobutyl-6-(2-pyridylmethoxy)-1,4-diazepan-2-one Formula: C22H33N5O2 MolecularWeight: 399.52972

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=CC=N3

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=CC=N3

InChI

InChI=1S/C22H33N5O2/c1-5-27-12-19(18(4)24-27)11-25-13-21(29-16-20-8-6-7-9-23-20)14-26(10-17(2)3)22(28)15-25/h6-9,12,17,21H,5,10-11,13-16H2,1-4H3