1-cyclohexyl-4-isoquinolin-3-ylcarbonyl-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-4-isoquinolin-3-ylcarbonyl-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-4-(isoquinoline-3-carbonyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[3-isoquinolinyl(oxo)methyl]-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-(isoquinoline-3-carbonyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-4-(isoquinoline-3-carbonyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)C3=CC4=CC=CC=C4C=N3)OCC5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)C3=CC4=CC=CC=C4C=N3)OCC5=CC=CC=N5

InChI

InChI=1S/C27H30N4O3/c32-26-18-30(27(33)25-14-20-8-4-5-9-21(20)15-29-25)16-24(34-19-22-10-6-7-13-28-22)17-31(26)23-11-2-1-3-12-23/h4-10,13-15,23-24H,1-3,11-12,16-19H2