tert-butyl 3-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]methylcarbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]methylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[2-(1,2,4-triazol-1-yl)-3-pyridyl]methylcarbamoyl]piperidine-1-carboxylate CAS Name: 3-[oxo-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]methylcarbamoyl]piperidine-1-carboxylate Traditional Name: 3-[[2-(1,2,4-triazol-1-yl)-3-pyridyl]methylcarbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H26N6O3 MolecularWeight: 386.44814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NCC2=C(N=CC=C2)N3C=NC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NCC2=C(N=CC=C2)N3C=NC=N3

InChI

InChI=1S/C19H26N6O3/c1-19(2,3)28-18(27)24-9-5-7-15(11-24)17(26)22-10-14-6-4-8-21-16(14)25-13-20-12-23-25/h4,6,8,12-13,15H,5,7,9-11H2,1-3H3,(H,22,26)