4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-isobutyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(1,5-dimethyl-4-pyrazolyl)methyl]-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-isobutyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CN2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=NC=C3

Isomeric SMILES

CC1=C(C=NN1C)CN2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=NC=C3

InChI

InChI=1S/C21H31N5O2/c1-16(2)10-26-13-20(28-15-18-5-7-22-8-6-18)12-25(14-21(26)27)11-19-9-23-24(4)17(19)3/h5-9,16,20H,10-15H2,1-4H3