1-cyclohexyl-4-[1-(phenylmethyl)pyrazol-4-yl]carbonyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-4-[1-(phenylmethyl)pyrazol-4-yl]carbonyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(1-benzylpyrazole-4-carbonyl)-1-cyclohexyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[oxo-[1-(phenylmethyl)-4-pyrazolyl]methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(1-benzylpyrazole-4-carbonyl)-1-cyclohexyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(1-benzylpyrazole-4-carbonyl)-1-cyclohexyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C28H33N5O3 MolecularWeight: 487.59332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)C3=CN(N=C3)CC4=CC=CC=C4)OCC5=CC=NC=C5

Isomeric SMILES

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)C3=CN(N=C3)CC4=CC=CC=C4)OCC5=CC=NC=C5

InChI

InChI=1S/C28H33N5O3/c34-27-20-31(28(35)24-15-30-32(17-24)16-22-7-3-1-4-8-22)18-26(36-21-23-11-13-29-14-12-23)19-33(27)25-9-5-2-6-10-25/h1,3-4,7-8,11-15,17,25-26H,2,5-6,9-10,16,18-21H2