4-(2,2-dimethylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(2,2-dimethylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(2,2-dimethylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-(2,2-dimethylpropyl)-1-[(1-methyl-4-pyrazolyl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(2,2-dimethylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-neopentyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CC(CN(C(=O)C1)CC2=CN(N=C2)C)OCC3=CC=NC=C3

Isomeric SMILES

CC(C)(C)CN1CC(CN(C(=O)C1)CC2=CN(N=C2)C)OCC3=CC=NC=C3

InChI

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