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

Systemtic Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-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-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H18BrN5O3 MolecularWeight: 468.30332

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrN5O3/c22-17-3-1-2-16(10-17)20-25-19(30-26-20)13-29-21(28)15-6-8-27(9-7-15)18-5-4-14(11-23)12-24-18/h1-5,10,12,15H,6-9,13H2