4-(2-chloranyl-4-fluoranyl-phenyl)carbonyl-6-methoxy-1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-1,4-diazepan-2-one

Systemtic Name: 4-(2-chloranyl-4-fluoranyl-phenyl)carbonyl-6-methoxy-1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-1,4-diazepan-2-one Openeye Name: 4-(2-chloro-4-fluoro-benzoyl)-6-methoxy-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4-diazepan-2-one CAS Name: 4-[(2-chloro-4-fluorophenyl)-oxomethyl]-6-methoxy-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-1,4-diazepan-2-one IUPAC Name: 4-(2-chloro-4-fluorobenzoyl)-6-methoxy-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4-diazepan-2-one Traditional Name: 4-(2-chloro-4-fluoro-benzoyl)-1-[3-(2-ketopyrrolidino)propyl]-6-methoxy-1,4-diazepan-2-one Formula: C20H25ClFN3O4 MolecularWeight: 425.881603

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CC(=O)N(C1)CCCN2CCCC2=O)C(=O)C3=C(C=C(C=C3)F)Cl

Isomeric SMILES

COC1CN(CC(=O)N(C1)CCCN2CCCC2=O)C(=O)C3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C20H25ClFN3O4/c1-29-15-11-24(9-3-8-23-7-2-4-18(23)26)19(27)13-25(12-15)20(28)16-6-5-14(22)10-17(16)21/h5-6,10,15H,2-4,7-9,11-13H2,1H3