2,2-dimethylpropyl 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: 2,2-dimethylpropyl 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)pyridin-2-yl]piperazine-1-carboxylate Openeye Name: 2,2-dimethylpropyl 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]-1-piperazinecarboxylic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridyl]piperazine-1-carboxylic acid neopentyl ester Formula: C18H26N6O2 MolecularWeight: 358.43804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)C2=CC(=NC=C2)N3CCN(CC3)C(=O)OCC(C)(C)C

Isomeric SMILES

CC1=NC(=NN1)C2=CC(=NC=C2)N3CCN(CC3)C(=O)OCC(C)(C)C

InChI

InChI=1S/C18H26N6O2/c1-13-20-16(22-21-13)14-5-6-19-15(11-14)23-7-9-24(10-8-23)17(25)26-12-18(2,3)4/h5-6,11H,7-10,12H2,1-4H3,(H,20,21,22)