6-[(3-fluorophenyl)methoxy]-4-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-1-phenethyl-1,4-diazepan-2-one

Systemtic Name: 6-[(3-fluorophenyl)methoxy]-4-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-1-phenethyl-1,4-diazepan-2-one Openeye Name: 6-[(3-fluorophenyl)methoxy]-4-(1-oxidopyridin-1-ium-4-carbonyl)-1-phenethyl-1,4-diazepan-2-one CAS Name: 6-[(3-fluorophenyl)methoxy]-4-[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]-1-phenethyl-1,4-diazepan-2-one IUPAC Name: 6-[(3-fluorophenyl)methoxy]-4-(1-oxidopyridin-1-ium-4-carbonyl)-1-phenethyl-1,4-diazepan-2-one Traditional Name: 6-(3-fluorobenzyl)oxy-4-(1-oxidopyridin-1-ium-4-carbonyl)-1-phenethyl-1,4-diazepan-2-one Formula: C26H26FN3O4 MolecularWeight: 463.500743

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)CN1C(=O)C2=CC=[N+](C=C2)[O-])CCC3=CC=CC=C3)OCC4=CC(=CC=C4)F

Isomeric SMILES

C1C(CN(C(=O)CN1C(=O)C2=CC=[N+](C=C2)[O-])CCC3=CC=CC=C3)OCC4=CC(=CC=C4)F

InChI

InChI=1S/C26H26FN3O4/c27-23-8-4-7-21(15-23)19-34-24-16-28(12-9-20-5-2-1-3-6-20)25(31)18-29(17-24)26(32)22-10-13-30(33)14-11-22/h1-8,10-11,13-15,24H,9,12,16-19H2