[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-oxidanylideneazepan-1-yl)ethanoate

Systemtic Name: [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C17H18BrN3O4 MolecularWeight: 408.24652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)OCC2=NN=C(O2)C3=CC=CC=C3Br

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)OCC2=NN=C(O2)C3=CC=CC=C3Br

InChI

InChI=1S/C17H18BrN3O4/c18-13-7-4-3-6-12(13)17-20-19-14(25-17)11-24-16(23)10-21-9-5-1-2-8-15(21)22/h3-4,6-7H,1-2,5,8-11H2