3-[2-[4-cyclohexyl-3-oxidanylidene-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-2,3-dihydroisoindol-1-one

Systemtic Name: 3-[2-[4-cyclohexyl-3-oxidanylidene-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-2,3-dihydroisoindol-1-one Openeye Name: 3-[2-[4-cyclohexyl-3-oxo-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]-2-oxo-ethyl]isoindolin-1-one CAS Name: 3-[2-[4-cyclohexyl-3-oxo-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one IUPAC Name: 3-[2-[4-cyclohexyl-3-oxo-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one Traditional Name: 3-[2-[4-cyclohexyl-3-keto-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]-2-keto-ethyl]isoindolin-1-one Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)CC3C4=CC=CC=C4C(=O)N3)OCC5=CC=NC=C5

Isomeric SMILES

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)CC3C4=CC=CC=C4C(=O)N3)OCC5=CC=NC=C5

InChI

InChI=1S/C27H32N4O4/c32-25(14-24-22-8-4-5-9-23(22)27(34)29-24)30-15-21(35-18-19-10-12-28-13-11-19)16-31(26(33)17-30)20-6-2-1-3-7-20/h4-5,8-13,20-21,24H,1-3,6-7,14-18H2,(H,29,34)