4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]-1-isobutyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-isobutyl-4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C27H35N5O3 MolecularWeight: 477.5985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CC(CN(C(=O)C3)CC(C)C)OCC4=CC=NC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CC(CN(C(=O)C3)CC(C)C)OCC4=CC=NC=C4

InChI

InChI=1S/C27H35N5O3/c1-20(2)14-31-16-24(35-19-22-10-12-28-13-11-22)15-30(18-26(31)33)17-25-21(3)29(4)32(27(25)34)23-8-6-5-7-9-23/h5-13,20,24H,14-19H2,1-4H3