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

Systemtic Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(2-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-(4-oxanylmethyl)-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(2-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C23H33N5O3 MolecularWeight: 427.53982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=CC=N4)C

Isomeric SMILES

CC1=NN(C=C1CN2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=CC=N4)C

InChI

InChI=1S/C23H33N5O3/c1-18-20(12-26(2)25-18)13-27-14-22(31-17-21-5-3-4-8-24-21)15-28(23(29)16-27)11-19-6-9-30-10-7-19/h3-5,8,12,19,22H,6-7,9-11,13-17H2,1-2H3