3-[1-(1-pyrimidin-2-ylpiperidin-4-yl)-1,2,3-triazol-4-yl]propanoate

Systemtic Name: 3-[1-(1-pyrimidin-2-ylpiperidin-4-yl)-1,2,3-triazol-4-yl]propanoate Openeye Name: 3-[1-(1-pyrimidin-2-yl-4-piperidyl)triazol-4-yl]propanoate CAS Name: 3-[1-[1-(2-pyrimidinyl)-4-piperidinyl]-4-triazolyl]propanoate IUPAC Name: 3-[1-(1-pyrimidin-2-ylpiperidin-4-yl)triazol-4-yl]propanoate Traditional Name: 3-[1-[1-(2-pyrimidyl)-4-piperidyl]triazol-4-yl]propionate Formula: C14H17N6O2- MolecularWeight: 301.32378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=C(N=N2)CCC(=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CCC1N2C=C(N=N2)CCC(=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C14H18N6O2/c21-13(22)3-2-11-10-20(18-17-11)12-4-8-19(9-5-12)14-15-6-1-7-16-14/h1,6-7,10,12H,2-5,8-9H2,(H,21,22)/p-1