methyl 4-[[4-cyclohexyl-3-oxidanylidene-6-(pyridin-2-ylmethoxy)-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-cyclohexyl-3-oxidanylidene-6-(pyridin-2-ylmethoxy)-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-cyclohexyl-3-oxo-6-(2-pyridylmethoxy)-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 4-[[4-cyclohexyl-3-oxo-6-(2-pyridinylmethoxy)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-cyclohexyl-3-oxo-6-(pyridin-2-ylmethoxy)-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 4-[[4-cyclohexyl-3-keto-6-(2-pyridylmethoxy)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CC=CC=N4

InChI

InChI=1S/C26H33N3O4/c1-32-26(31)21-12-10-20(11-13-21)15-28-16-24(33-19-22-7-5-6-14-27-22)17-29(25(30)18-28)23-8-3-2-4-9-23/h5-7,10-14,23-24H,2-4,8-9,15-19H2,1H3