4-(3-chloranyl-4-fluoranyl-phenyl)carbonyl-1-(phenylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(3-chloranyl-4-fluoranyl-phenyl)carbonyl-1-(phenylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-benzyl-4-(3-chloro-4-fluoro-benzoyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(3-chloro-4-fluorophenyl)-oxomethyl]-1-(phenylmethyl)-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-benzyl-4-(3-chloro-4-fluorobenzoyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-benzyl-4-(3-chloro-4-fluoro-benzoyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one Formula: C25H23ClFN3O3 MolecularWeight: 467.919823

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)CN1C(=O)C2=CC(=C(C=C2)F)Cl)CC3=CC=CC=C3)OCC4=CC=CC=N4

Isomeric SMILES

C1C(CN(C(=O)CN1C(=O)C2=CC(=C(C=C2)F)Cl)CC3=CC=CC=C3)OCC4=CC=CC=N4

InChI

InChI=1S/C25H23ClFN3O3/c26-22-12-19(9-10-23(22)27)25(32)30-15-21(33-17-20-8-4-5-11-28-20)14-29(24(31)16-30)13-18-6-2-1-3-7-18/h1-12,21H,13-17H2