[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate Openeye Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(5-carbamoyl-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-carbamoyl-2-pyridinyl)-4-piperidinecarboxylic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(5-carbamoylpyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-carbamoyl-2-pyridyl)isonipecotic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H20BrN5O4 MolecularWeight: 486.3186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Br)C4=NC=C(C=C4)C(=O)N

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Br)C4=NC=C(C=C4)C(=O)N

InChI

InChI=1S/C21H20BrN5O4/c22-16-3-1-2-14(10-16)20-25-18(31-26-20)12-30-21(29)13-6-8-27(9-7-13)17-5-4-15(11-24-17)19(23)28/h1-5,10-11,13H,6-9,12H2,(H2,23,28)