6-[(3-fluorophenyl)methoxy]-4-[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonyl-1-phenethyl-1,4-diazepan-2-one

Systemtic Name: 6-[(3-fluorophenyl)methoxy]-4-[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonyl-1-phenethyl-1,4-diazepan-2-one Openeye Name: 6-[(3-fluorophenyl)methoxy]-4-[(2S)-5-oxopyrrolidine-2-carbonyl]-1-phenethyl-1,4-diazepan-2-one CAS Name: 6-[(3-fluorophenyl)methoxy]-4-[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]-1-phenethyl-1,4-diazepan-2-one IUPAC Name: 6-[(3-fluorophenyl)methoxy]-4-[(2S)-5-oxopyrrolidine-2-carbonyl]-1-phenethyl-1,4-diazepan-2-one Traditional Name: 6-(3-fluorobenzyl)oxy-4-[(2S)-5-ketoprolyl]-1-phenethyl-1,4-diazepan-2-one Formula: C25H28FN3O4 MolecularWeight: 453.505923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC1C(=O)N2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)F

Isomeric SMILES

C1CC(=O)N[C@@H]1C(=O)N2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)F

InChI

InChI=1S/C25H28FN3O4/c26-20-8-4-7-19(13-20)17-33-21-14-28(12-11-18-5-2-1-3-6-18)24(31)16-29(15-21)25(32)22-9-10-23(30)27-22/h1-8,13,21-22H,9-12,14-17H2,(H,27,30)/t21?,22-/m0/s1