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

Systemtic Name: 4-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-(2-chloro-6-fluoro-benzoyl)-1-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 4-[(2-chloro-6-fluorophenyl)-oxomethyl]-6-phenylmethoxy-1-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 4-(2-chloro-6-fluorobenzoyl)-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-(2-chloro-6-fluoro-benzoyl)-1-(3-pyridylmethyl)-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=C(C=CC=C2Cl)F)CC3=CN=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1C(CN(C(=O)CN1C(=O)C2=C(C=CC=C2Cl)F)CC3=CN=CC=C3)OCC4=CC=CC=C4

InChI

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