1-[4-cyclohexyl-3-oxidanylidene-6-(pyridin-3-ylmethoxy)-1,4-diazepan-1-yl]-4-(4-fluorophenyl)butane-1,4-dione

Systemtic Name: 1-[4-cyclohexyl-3-oxidanylidene-6-(pyridin-3-ylmethoxy)-1,4-diazepan-1-yl]-4-(4-fluorophenyl)butane-1,4-dione Openeye Name: 1-[4-cyclohexyl-3-oxo-6-(3-pyridylmethoxy)-1,4-diazepan-1-yl]-4-(4-fluorophenyl)butane-1,4-dione CAS Name: 1-[4-cyclohexyl-3-oxo-6-(3-pyridinylmethoxy)-1,4-diazepan-1-yl]-4-(4-fluorophenyl)butane-1,4-dione IUPAC Name: 1-[4-cyclohexyl-3-oxo-6-(pyridin-3-ylmethoxy)-1,4-diazepan-1-yl]-4-(4-fluorophenyl)butane-1,4-dione Traditional Name: 1-[4-cyclohexyl-3-keto-6-(3-pyridylmethoxy)-1,4-diazepan-1-yl]-4-(4-fluorophenyl)butane-1,4-dione Formula: C27H32FN3O4 MolecularWeight: 481.559083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)CCC(=O)C3=CC=C(C=C3)F)OCC4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)CCC(=O)C3=CC=C(C=C3)F)OCC4=CN=CC=C4

InChI

InChI=1S/C27H32FN3O4/c28-22-10-8-21(9-11-22)25(32)12-13-26(33)30-16-24(35-19-20-5-4-14-29-15-20)17-31(27(34)18-30)23-6-2-1-3-7-23/h4-5,8-11,14-15,23-24H,1-3,6-7,12-13,16-19H2