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

Systemtic Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-isobutyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-[(1,3-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=NN(C=C1CN2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=NC=C3)C

Isomeric SMILES

CC1=NN(C=C1CN2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=NC=C3)C

InChI

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